重构4
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.learnings/ERRORS.md
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.learnings/ERRORS.md
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# Errors
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Command failures, exceptions, and unexpected behavior captured during development.
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**Areas**: frontend | backend | infra | tests | docs | config
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**Statuses**: pending | in_progress | resolved | wont_fix
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---
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9
.learnings/FEATURE_REQUESTS.md
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.learnings/FEATURE_REQUESTS.md
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# Feature Requests
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User-requested capabilities and enhancements.
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**Areas**: frontend | backend | infra | tests | docs | config
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**Statuses**: pending | in_progress | resolved | wont_fix
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---
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446
.learnings/LEARNINGS.md
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446
.learnings/LEARNINGS.md
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# Learnings
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Corrections, insights, and knowledge gaps captured during development.
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**Categories**: correction | insight | knowledge_gap | best_practice
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**Areas**: frontend | backend | infra | tests | docs | config
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**Statuses**: pending | in_progress | resolved | wont_fix | promoted | promoted_to_skill
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## Status Definitions
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| Status | Meaning |
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|--------|---------|
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| `pending` | Not yet addressed |
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| `in_progress` | Actively being worked on |
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| `resolved` | Issue fixed or knowledge integrated |
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| `wont_fix` | Decided not to address (reason in Resolution) |
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| `promoted` | Elevated to CLAUDE.md, AGENTS.md, or copilot-instructions.md |
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| `promoted_to_skill` | Extracted as a reusable skill |
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---
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## [LRN-20260321-F01] correction
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**Logged**: 2026-03-21T19:55:00Z
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**Priority**: high
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**Status**: resolved
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**Area**: backend
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### Summary
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Fortran 1-indexed 转 Rust 0-indexed 的关键规则
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### Details
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- 数组访问: `arr(i)` → `arr[i-1]`
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- 循环范围: `DO I=1,N` → `for i in 0..n`
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- 边界条件: Fortran jl=0 表示"在第一个有效索引之前"，Rust jl=0 就是第一个有效索引
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### Suggested Action
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重构时删除类似 `IF (J.EQ.0) J = J+1` 的调整逻辑
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### Metadata
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- Source: fortran-to-rust refactoring
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- Related Files: ylintp.f, locate.f
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- Tags: indexing, fortran, rust
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---
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## [LRN-20260321-F02] correction
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**Logged**: 2026-03-21T19:55:00Z
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**Priority**: high
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**Status**: resolved
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**Area**: backend
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### Summary
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Fortran 表达式 `-LOG(X)` 是 `-(LOG(X))`，不是 `LOG(-X)`
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### Details
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`XL=-LOG(X)` 应翻译为 `let xl = -x.ln()`，不是 `let xl = (-x).ln()`
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后者对 x>0 会返回 NaN
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### Suggested Action
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翻译数学表达式时注意运算符优先级
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### Metadata
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- Source: fortran-to-rust refactoring
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- Related Files: erfcin.f
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- Tags: expression, fortran, rust
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---
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## [LRN-20260321-F03] insight
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**Logged**: 2026-03-21T19:55:00Z
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**Priority**: medium
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**Status**: resolved
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**Area**: backend
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### Summary
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`(z1 - z2).powi(2)` 编译错误 - 类型推断失败
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### Details
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编译器无法推断中间表达式的类型，使用显式乘法 `(z1 - z2) * (z1 - z2)` 代替
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### Metadata
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- Source: fortran-to-rust refactoring
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- Tags: rust, type_inference, powi
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---
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## [LRN-20260321-F04] best_practice
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**Logged**: 2026-03-21T19:55:00Z
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**Priority**: medium
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**Status**: resolved
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**Area**: tests
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### Summary
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多项式近似精度容差：简单函数 1e-10，多项式 1e-7
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### Details
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Abramowitz-Stegun 多项式近似本身精度有限
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### Metadata
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- Source: fortran-to-rust refactoring
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- Related Files: eint.f
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- Tags: precision, polynomial, testing
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---
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## [LRN-20260321-F05] correction
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**Logged**: 2026-03-21T19:55:00Z
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**Priority**: high
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**Status**: resolved
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**Area**: backend
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### Summary
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递减循环变量用 isize 不用 usize，避免溢出
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### Details
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当循环变量递减到负数时，无符号整数会溢出
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### Metadata
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- Source: fortran-to-rust refactoring
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- Related Files: collhe.f
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- Tags: overflow, rust, loop
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---
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## [LRN-20260321-F06] best_practice
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**Logged**: 2026-03-21T19:55:00Z
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**Priority**: high
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**Status**: resolved
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**Area**: backend
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### Summary
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重构前必须检查所有 INCLUDE 语句，不仅是 IMPLIC.FOR
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### Details
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已确认有 COMMON 依赖的"纯函数"文件：
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gamsp.f, sgmer1.f, sgmerd.f, cross.f, gfree0.f, gfreed.f, gfree1.f, wn.f, crossd.f, dopgam.f, verner.f, sbfhe1.f
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### Suggested Action
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添加新结构体前先 grep 检查是否已存在
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### Metadata
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- Source: fortran-to-rust refactoring
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- Tags: common, fortran, dependency
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---
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## [LRN-20260321-F07] correction
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**Logged**: 2026-03-21T19:55:00Z
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**Priority**: high
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**Status**: resolved
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**Area**: tests
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### Summary
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测试数组值不能全部相同，会导致除零
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### Details
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```rust
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// 错误：全部相同 → ddm = 0 → dtm = 1/0 = inf
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let dm = vec![0.01; MDEPTH];
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// 正确：递增模拟物理分布
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let dm: Vec<f64> = (0..MDEPTH).map(|i| 0.01 + i as f64 * 0.01).collect();
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```
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### Metadata
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- Source: fortran-to-rust refactoring
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- Related Files: rybmat.rs
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- Tags: testing, data_design
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---
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## [LRN-20260321-F08] insight
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**Logged**: 2026-03-21T19:55:00Z
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**Priority**: medium
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**Status**: resolved
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**Area**: backend
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### Summary
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Fortran 修改 COMMON 块数组 → Rust 需要 &mut 引用
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### Metadata
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- Source: fortran-to-rust refactoring
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- Related Files: tabint.f
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- Tags: rust, mutability, reference
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---
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## [LRN-20260321-F09] correction
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**Logged**: 2026-03-21T19:55:00Z
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**Priority**: high
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**Status**: resolved
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**Area**: config
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### Summary
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analyze_fortran.py 只匹配 CALL 语句，漏掉 FUNCTION 调用
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### Details
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需要两遍扫描：1) 收集所有已定义函数名 2) 只匹配已知函数名
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### Metadata
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- Source: fortran-to-rust refactoring
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- Related Files: scripts/analyze_fortran.py
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- Tags: dependency, analysis, python
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---
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## [LRN-20260321-F10] correction
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**Logged**: 2026-03-21T19:55:00Z
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**Priority**: high
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**Status**: resolved
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**Area**: tests
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### Summary
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测试参数设置时避免矩阵列重叠
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### Details
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主循环更新列和温度/密度列可能重叠，设置 inre=0, inpc=0 避免重叠
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### Metadata
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- Source: fortran-to-rust refactoring
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- Related Files: bpopf.rs
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- Tags: testing, matrix, indexing
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---
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## [LRN-20260321-F11] correction
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**Logged**: 2026-03-21T19:55:00Z
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**Priority**: high
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**Status**: resolved
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**Area**: backend
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### Summary
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公式中 `1/x` 和 `x` 的顺序要仔细核对
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### Details
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`5.484e-14 / x2 * (...)` 其中 x2=1/x²，等于乘以 x²，不是除以
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### Metadata
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- Source: fortran-to-rust refactoring
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- Related Files: rayleig.f
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- Tags: formula, rust, physics
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---
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## [LRN-20260321-F12] best_practice
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**Logged**: 2026-03-21T19:55:00Z
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**Priority**: medium
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**Status**: resolved
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**Area**: backend
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### Summary
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大型 COMMON 块函数使用生命周期结构体
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### Details
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```rust
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pub struct Alifr3ModelState<'a> {
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pub elec: &'a [f64], // 输入
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pub heit: &'a mut [f64], // 输出
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}
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```
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### Metadata
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- Source: fortran-to-rust refactoring
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- Related Files: alifr3.rs, alifr6.rs
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- Tags: rust, struct, lifetime
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---
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## [LRN-20260321-F13] insight
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**Logged**: 2026-03-21T19:55:00Z
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**Priority**: medium
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**Status**: resolved
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**Area**: backend
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### Summary
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Fortran GOTO 分支 → Rust if-else + early return
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### Details
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每个 GOTO 标签对应一个 if 块
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### Metadata
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- Source: fortran-to-rust refactoring
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- Tags: fortran, goto, control_flow
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---
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## [LRN-20260321-F14] correction
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**Logged**: 2026-03-21T19:55:00Z
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**Priority**: medium
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**Status**: resolved
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**Area**: backend
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### Summary
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循环中重新赋值的变量必须声明为 mut
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### Metadata
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- Source: fortran-to-rust refactoring
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- Related Files: alifr6.rs
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- Tags: rust, mutability
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---
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## [LRN-20260321-F15] correction
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**Logged**: 2026-03-21T12:00:00Z
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**Priority**: high
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**Status**: resolved
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**Area**: backend
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### Summary
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Fortran 3D 数组转 Rust 扁平数组时，必须知道所有维度才能正确计算索引
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### Details
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Fortran `absopac(jt,jr,jf)` 是 3D 数组 (numtemp × numrh × nfreq)，转 Rust 扁平数组时：
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- **错误**: 用 `jt_idx * numtemp * nfreq` (用了 numtemp 作为第二维度)
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- **正确**: 用 `jt_idx * max_numrh * nfreq` (必须用实际维度 max_numrh)
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类似地，2D 数组 `rhomat(jt,jr)` 转扁平时：
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- **错误**: `rhomat[jt_idx * numtemp]`
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- **正确**: `rhomat[jt_idx * max_numrh]`
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### Suggested Action
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重构多维数组时，结构体必须包含所有维度信息，特别是可能变化的维度（如每个温度有不同的密度数）
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### Metadata
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- Source: fortran-to-rust refactoring
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- Related Files: opctab.rs, opctab.f
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- Tags: array, indexing, fortran, rust, multi-dimensional
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---
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## [LRN-20260321-F16] correction
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**Logged**: 2026-03-21T12:00:00Z
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**Priority**: high
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**Status**: resolved
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**Area**: backend
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### Summary
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Fortran 条件 `if(a.eq.b)` 转 Rust 时不要误用其他变量
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### Details
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Fortran `if(numtemp.eq.nd)` 检查表温度数是否等于总深度数：
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- **错误**: `if table.numtemp == params.id` (用了当前深度索引)
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- **正确**: `if table.numtemp == table.nd` (用总深度数)
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### Metadata
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- Source: fortran-to-rust refactoring
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- Related Files: opctab.rs, opctab.f
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- Tags: condition, variable, fortran, rust
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---
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## [LRN-20260321-F17] correction
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**Logged**: 2026-03-21T12:00:00Z
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**Priority**: high
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**Status**: resolved
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**Area**: backend
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### Summary
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分支条件相同代码是 bug，必须对照 Fortran 完整实现
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### Details
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`if params.ibc == 0 { ... } else { ... }` 两个分支代码完全相同时是错误的。
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Fortran 原代码 ELSE 分支有额外项：
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```fortran
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REIT(ID)=REIT(ID)+WW*(D0*(DSFT1-DBDT)+E0*DABT1(ID)+
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* RAD1(ID)*DABT1(ID)-DEMT1(ID)+
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* ALI1(ID)/ABST*DBDT)
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```
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变量 `DBDT` 和 `E0` 在边界条件块中计算，需要在更大作用域中声明才能在积分方程块中使用。
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### Suggested Action
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重构时如果看到 if-else 分支代码相同，立即检查 Fortran 原代码
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### Metadata
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- Source: fortran-to-rust refactoring
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- Related Files: alifr1.rs, alifr1.f
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- Tags: branch, bug, fortran, rust
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---
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## [LRN-20260321-F18] best_practice
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**Logged**: 2026-03-21T12:00:00Z
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**Priority**: medium
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**Status**: resolved
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**Area**: docs
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### Summary
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模块文档应完整描述所有功能，不仅是主要功能
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### Details
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opctab.rs 原文档只提到"插值计算"，漏掉了：
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- Rayleigh 散射计算（简单公式或调用 rayleigh 函数）
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- 电子散射计算
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### Suggested Action
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重构完成后对照 Fortran 原代码检查文档是否完整
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### Metadata
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- Source: fortran-to-rust refactoring
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- Related Files: opctab.rs, opctab.f
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- Tags: documentation, completeness
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---
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## Quick Reference - Refactoring Checklist
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重构新函数前检查：
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- [ ] 是否有 INCLUDE 语句 (除 IMPLIC.FOR 外)
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- [ ] 是否使用 COMMON 块
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- [ ] COMMON 块结构体是否已存在于其他模块
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- [ ] 是否有文件 I/O (OPEN, READ, WRITE)
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- [ ] 数组索引是否需要 -1 调整
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- [ ] 循环变量是否可能变负 (用 isize/i32)
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- [ ] 多项式近似精度是否需要放宽
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- [ ] 是否有嵌套 IF 分支遗漏
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- [ ] 矩阵列索引是否可能与温度/密度列重叠
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- [ ] 公式中 `1/x` 和 `x` 的顺序是否正确
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- [ ] 大型 COMMON 块函数是否需要创建综合输入结构体
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- [ ] 多分支 GOTO 是否正确转换为 if-else
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- [ ] 循环中重新赋值的变量是否声明为 mut
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- [ ] 多维数组扁平化时是否使用了正确的维度（不是第一个维度）
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- [ ] 条件语句中的变量是否与 Fortran 原代码一致
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- [ ] 模块文档是否描述了所有功能（包括次要功能）
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- [ ] if-else 分支代码是否完全相同（相同则是 bug）
|
||||
- [ ] 边界条件块中计算的变量是否在积分方程块中可用（作用域问题）
|
||||
101
CLAUDE.md
101
CLAUDE.md
@ -6,8 +6,9 @@ This file provides guidance to Claude Code (claude.ai/code) when working with co
|
||||
|
||||
Fortran stellar atmosphere modeling suite being refactored to Rust. Strategy: **split Fortran into modules first, then incrementally rewrite in Rust**.
|
||||
|
||||
- **TLUSTY 208**: Non-LTE stellar atmosphere calculator (50,009 lines → 304 modules)
|
||||
- **SYNSPEC 54**: Synthetic spectrum evaluator (23,917 lines → 168 modules)
|
||||
- **TLUSTY 208**: Non-LTE stellar atmosphere calculator (~50,000 lines → 304 modules)
|
||||
- **SYNSPEC 54**: Synthetic spectrum evaluator (~24,000 lines → 168 modules)
|
||||
- **Progress**: 120/~472 Fortran units translated to Rust
|
||||
|
||||
## Environment Variables
|
||||
|
||||
@ -21,60 +22,106 @@ export OPTABLES=$TL208/optables
|
||||
|
||||
## Build Commands
|
||||
|
||||
### Rust
|
||||
```bash
|
||||
cargo build # Debug build
|
||||
cargo build --release # Release build
|
||||
cargo test # Run all tests (includes Fortran comparison tests)
|
||||
cargo test test_expo # Run specific test
|
||||
```
|
||||
|
||||
### Fortran
|
||||
```bash
|
||||
# Production (single file)
|
||||
gfortran -O3 -fno-automatic -mcmodel=large -o tlusty/tlusty.exe tlusty/tlusty208.f
|
||||
gfortran -O3 -fno-automatic -mcmodel=large -o synspec/synspec.exe synspec/synspec54.f
|
||||
|
||||
# Development (modular)
|
||||
python3 extract_fortran.py tlusty/tlusty208.f tlusty/extracted/
|
||||
cp tlusty/*.FOR tlusty/extracted/
|
||||
cd tlusty/extracted && make # Output: build/tlusty_extracted
|
||||
cd rust/tlusty/extracted && make # Output: build/tlusty_extracted
|
||||
```
|
||||
|
||||
**Compile flags:**
|
||||
**Fortran compile flags:**
|
||||
- `-mcmodel=large`: Required for large COMMON blocks (>2GB address space)
|
||||
- `-fno-automatic`: Static storage (old Fortran compatibility)
|
||||
- **Never use** `-ffixed-line-length-none`: Breaks columns 73-80 handling
|
||||
|
||||
## Rust Architecture
|
||||
|
||||
```
|
||||
src/
|
||||
├── lib.rs # Module exports
|
||||
├── data.rs # Static data arrays (translated from BLOCK DATA)
|
||||
├── math/ # Pure math functions (no COMMON dependency) - 120 modules
|
||||
│ ├── expint.rs # Exponential integrals
|
||||
│ ├── voigt.rs # Voigt profile
|
||||
│ ├── tridag.rs # Tridiagonal solver
|
||||
│ └── ...
|
||||
├── state/ # COMMON block translations as structs
|
||||
│ ├── constants.rs # Physical/math constants, array dimensions
|
||||
│ ├── config.rs # Runtime config
|
||||
│ ├── atomic.rs # Atomic/ion/level data
|
||||
│ ├── model.rs # Atmosphere model state (largest struct)
|
||||
│ ├── arrays.rs # Main linear equation arrays
|
||||
│ ├── iterat.rs # Iteration control
|
||||
│ ├── alipar.rs # ALI (Accelerated Lambda Iteration) arrays
|
||||
│ └── odfpar.rs # ODF (Opacity Distribution Function) data
|
||||
└── physics/ # Physics calculations (placeholder)
|
||||
```
|
||||
|
||||
## Running Tests
|
||||
|
||||
### Rust Tests
|
||||
```bash
|
||||
cargo test # All unit tests
|
||||
cargo test --test fortran_comparison # Fortran comparison tests only
|
||||
```
|
||||
|
||||
### Fortran Integration Tests
|
||||
```bash
|
||||
# TLUSTY: H-He model test
|
||||
cd tests/tlusty/hhe
|
||||
cd $TLUSTY/tests/tlusty/hhe
|
||||
$TLUSTY/tlusty/tlusty.exe < hhe35lt.5 > hhe35lt.6
|
||||
cp fort.7 hhe35lt.7
|
||||
diff hhe35lt.7 hhe35lt.7.bak # Verify against expected
|
||||
diff hhe35lt.7 hhe35lt.7.bak
|
||||
|
||||
# SYNSPEC: spectrum test
|
||||
cd tests/synspec/hhe
|
||||
ln -sf $TLUSTY/data data # MUST be symlink, not file
|
||||
cd $TLUSTY/tests/synspec/hhe
|
||||
ln -sf $TLUSTY/data data
|
||||
cp hhe35nl.7 fort.8
|
||||
ln -sf fort.55.con fort.55
|
||||
$TLUSTY/synspec/synspec.exe < hhe35nl.5
|
||||
# Output: fort.7 (spectrum), fort.17 (continuum)
|
||||
```
|
||||
|
||||
## Module Extraction
|
||||
## Refactoring Workflow
|
||||
|
||||
`extract_fortran.py` splits monolithic Fortran into individual `.f` files:
|
||||
- Generates Makefile with correct flags
|
||||
- Analyzes COMMON block dependencies
|
||||
- Identifies pure functions (no COMMON) for independent testing
|
||||
- Handles unnamed BLOCK DATA units
|
||||
1. **Find pure functions**: Check `rust/tlusty/extracted/_PURE_UNITS.txt` for units without COMMON dependencies
|
||||
2. **Translate**: Create `src/math/<name>.rs`, add to `src/math/mod.rs`
|
||||
3. **Verify**: Add test case in `tests/fortran_comparison.rs` with Fortran reference values
|
||||
|
||||
## Key Architecture
|
||||
|
||||
**TLUSTY include files** define COMMON blocks shared across subroutines:
|
||||
- `BASICS.FOR`: Array dimensions (`MDEPTH`=100, `MFREQ`=135000, `MLEVEL`=1134)
|
||||
- `ATOMIC.FOR`: Atomic masses, abundances, energy levels
|
||||
- `MODELQ.FOR`: Temperature, density, populations
|
||||
- `ARRAY1.FOR`: Main linear equation arrays
|
||||
**TLUSTY COMMON blocks** (mapped to `src/state/` structs):
|
||||
- `BASICS.FOR` → `constants.rs`: Array dimensions (`MDEPTH`=100, `MFREQ`=135000, `MLEVEL`=1134)
|
||||
- `ATOMIC.FOR` → `atomic.rs`: Atomic masses, abundances, energy levels
|
||||
- `MODELQ.FOR` → `model.rs`: Temperature, density, populations
|
||||
- `ARRAY1.FOR` → `arrays.rs`: Main linear equation arrays
|
||||
|
||||
**SYNSPEC** reads model atmosphere from `fort.8`, outputs spectrum to `fort.7`.
|
||||
**SYNSPEC** reads model atmosphere from `fort.8`, outputs spectrum to `fort.7`
|
||||
|
||||
## Refactoring Notes
|
||||
## Fortran → Rust Translation Notes
|
||||
|
||||
- Pure functions (no COMMON dependency) can be rewritten independently
|
||||
- TLUSTY has 195 pure units, SYNSPEC has 93
|
||||
- See `memory/MEMORY.md` for detailed extraction results and test procedures
|
||||
Critical patterns to avoid mistakes:
|
||||
|
||||
- **Index conversion**: Fortran 1-indexed → Rust 0-indexed. `arr(i)` → `arr[i-1]`, `DO I=1,N` → `for i in 0..n`
|
||||
- **Expression precedence**: `-LOG(X)` is `-(LOG(X))`, not `LOG(-X)`
|
||||
- **Decrementing loops**: Use `isize`/`i32` when loop variable may become negative
|
||||
- **COMMON dependency**: Check INCLUDE statements before assuming a function is pure
|
||||
- **Large structs**: Functions with many COMMON dependencies use lifetime structs:
|
||||
```rust
|
||||
pub struct Params<'a> {
|
||||
pub input: &'a [f64],
|
||||
pub output: &'a mut [f64],
|
||||
}
|
||||
```
|
||||
- **Type inference**: `(z1 - z2).powi(2)` may fail; use `(z1 - z2) * (z1 - z2)`
|
||||
- **Test tolerance**: Polynomial approximations (Abramowitz-Stegun) need relaxed tolerance (~1e-7)
|
||||
|
||||
@ -1,337 +0,0 @@
|
||||
# Fortran 重构追踪表
|
||||
|
||||
> 自动生成，请勿手动修改。运行 `python3 scripts/generate_tracking.py > FORTRAN_TRACKING.md` 更新。
|
||||
|
||||
## 统计
|
||||
|
||||
| 指标 | 数量 |
|
||||
|------|------|
|
||||
| 总单元数 | 304 |
|
||||
| 已完成 | 125 |
|
||||
| 待处理 | 179 |
|
||||
| 纯函数 | 67 |
|
||||
| 有文件 I/O | 117 |
|
||||
| 完成率 | 41.1% |
|
||||
|
||||
## 状态说明
|
||||
|
||||
- ✅ `done` - 已重构为 Rust
|
||||
- ⬜ `pending` - 待处理
|
||||
- 🔄 `in_progress` - 进行中
|
||||
- ⏭️ `skip` - 跳过 (I/O 依赖或暂不处理)
|
||||
|
||||
## 类型说明
|
||||
|
||||
- **纯函数**: 无 COMMON 依赖、无文件 I/O、无外部调用依赖
|
||||
- **COMMON 依赖**: 需要状态结构体
|
||||
- **调用依赖**: 调用其他子程序，需要先实现依赖
|
||||
|
||||
## 完整追踪表
|
||||
|
||||
|
||||
| Fortran 文件 | 单元名 | 类型 | 纯函数 | COMMON 依赖 | 调用依赖 | I/O | Rust 模块 | 状态 |
|
||||
|-------------|--------|------|--------|-------------|----------|-----|-----------|------|
|
||||
| _unnamed_block_data_.f | C | BLOCK DATA | | BASICS, ATOMIC | | | | ⬜ |
|
||||
| accel2.f | ACCEL2 | SUBROUTINE | | BASICS, ITERAT, MODELQ | | 📁 | | ⬜ |
|
||||
| accelp.f | ACCELP | SUBROUTINE | | BASICS, MODELQ, ITERAT, POPULS | | 📁 | | ⬜ |
|
||||
| alifr1.f | ALIFR1 | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ALIPAR | ALIFR3 | | | ⬜ |
|
||||
| alifr3.f | ALIFR3 | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ALIPAR | | | alifr3.rs | ✅ |
|
||||
| alifr6.f | ALIFR6 | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ALIPAR | | | alifr6.rs | ✅ |
|
||||
| alifrk.f | ALIFRK | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ALIPAR | | | alifrk.rs | ✅ |
|
||||
| alisk1.f | ALISK1 | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ODFPAR, ALIPAR, ARRAY1, ITERAT | ALIFRK, ROSSTD, OPACF1, RTEFR1 | 📁 | | ⬜ |
|
||||
| alisk2.f | ALISK2 | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ODFPAR, ALIPAR, ARRAY1, ITERAT | ALIFRK, ROSSTD, OPACF1, RTEFR1 | 📁 | | ⬜ |
|
||||
| alist1.f | ALIST1 | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ODFPAR, ALIPAR, ITERAT | OPACFD, ALIFR1, ROSSTD, RTEFR1 | 📁 | | ⬜ |
|
||||
| alist2.f | ALIST2 | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ODFPAR, ALIPAR, ARRAY1, ITERAT | RTEFR1, ROSSTD, ALIFR1, QUIT, OPACFD | 📁 | | ⬜ |
|
||||
| allard.f | ALLARD | SUBROUTINE | | BASICS, calphatd, callarda, callardc, callardg, callardb, quasun | ALLARDT | 📁 | | ⬜ |
|
||||
| allardt.f | ALLARDT | SUBROUTINE | | BASICS, calphatd | | | allardt.rs | ✅ |
|
||||
| angset.f | ANGSET | SUBROUTINE | ✓ | BASICS | GAULEG | | angset.rs | ✅ |
|
||||
| betah.f | BETAH | FUNCTION | ✓ | | BETAH | | betah.rs | ✅ |
|
||||
| bhe.f | BHE | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ARRAY1, ALIPAR | | | bhe.rs | ✅ |
|
||||
| bhed.f | BHED | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ARRAY1, ALIPAR, CMATZD, SURFEX | | | bhe.rs | ✅ |
|
||||
| bhez.f | BHEZ | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ARRAY1, ALIPAR, SURFEX | | | bhe.rs | ✅ |
|
||||
| bkhsgo.f | BKHSGO | SUBROUTINE | ✓ | | | | bkhsgo.rs | ✅ |
|
||||
| bpop.f | BPOP | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ARRAY1, ALIPAR, ODFPAR, ITERAT | MATINV, BPOPT, BPOPF, LEVSOL, RATMAT, BPOPC, BPOPE, LEVGRP | | | ⬜ |
|
||||
| bpopc.f | BPOPC | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ARRAY1, ALIPAR, ODFPAR, ADCHAR | STATE | | | ⬜ |
|
||||
| bpope.f | BPOPE | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ODFPAR, ALIPAR, ITERAT, ARRAY1 | SGMER1, DWNFR1 | | | ⬜ |
|
||||
| bpopf.f | BPOPF | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ARRAY1, ALIPAR, ODFPAR | | | bpopf.rs | ✅ |
|
||||
| bpopt.f | BPOPT | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ARRAY1, ALIPAR, ODFPAR | COLIS | | | ⬜ |
|
||||
| bre.f | BRE | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ARRAY1, ALIPAR | COMPT0 | | | ⬜ |
|
||||
| brez.f | BREZ | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ARRAY1, ALIPAR | COMPT0 | | | ⬜ |
|
||||
| brte.f | BRTE | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ALIPAR, ARRAY1 | COMPT0 | | | ⬜ |
|
||||
| brtez.f | BRTEZ | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ALIPAR, ARRAY1 | COMPT0 | | | ⬜ |
|
||||
| butler.f | BUTLER | SUBROUTINE | ✓ | | | | butler.rs | ✅ |
|
||||
| carbon.f | CARBON | SUBROUTINE | ✓ | | | | carbon.rs | ✅ |
|
||||
| ceh12.f | CEH12 | FUNCTION | ✓ | | CEH12 | | ceh12.rs | ✅ |
|
||||
| change.f | CHANGE | SUBROUTINE | | BASICS, ATOMIC, MODELQ | STEQEQ, READBF | 📁 | | ⬜ |
|
||||
| chckse.f | CHCKSE | SUBROUTINE | | BASICS, ATOMIC, MODELQ | SABOLF | 📁 | | ⬜ |
|
||||
| chctab.f | CHCTAB | SUBROUTINE | | BASICS, MODELQ, abntab | | 📁 | | ⬜ |
|
||||
| cheav.f | CHEAV | FUNCTION | | BASICS, ATOMIC | CHEAV, QUIT | 📁 | | ⬜ |
|
||||
| cheavj.f | CHEAVJ | FUNCTION | | BASICS, ATOMIC | QUIT, CHEAVJ | 📁 | | ⬜ |
|
||||
| cia_h2h.f | CIA_H2H | SUBROUTINE | | | LOCATE, IF | 📁 | | ⬜ |
|
||||
| cia_h2h2.f | CIA_H2H2 | SUBROUTINE | | | LOCATE, IF | 📁 | | ⬜ |
|
||||
| cia_h2he.f | CIA_H2HE | SUBROUTINE | | | LOCATE, IF | 📁 | | ⬜ |
|
||||
| cia_hhe.f | CIA_HHE | SUBROUTINE | | | LOCATE, IF | 📁 | | ⬜ |
|
||||
| cion.f | CION | FUNCTION | ✓ | | CION | | cion.rs | ✅ |
|
||||
| ckoest.f | CKOEST | FUNCTION | ✓ | BASICS | CKOEST | | ckoest.rs | ✅ |
|
||||
| colh.f | COLH | SUBROUTINE | | BASICS, ATOMIC, MODELQ | CSPEC, BUTLER, IRC | | | ⬜ |
|
||||
| colhe.f | COLHE | SUBROUTINE | | BASICS, ATOMIC | COLLHE, CSPEC, IRC | | | ⬜ |
|
||||
| colis.f | COLIS | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ODFPAR, CTRTEMP | CSPEC, COLH, COLHE, IRC | | | ⬜ |
|
||||
| collhe.f | COLLHE | SUBROUTINE | ✓ | | | | collhe.rs | ✅ |
|
||||
| column.f | COLUMN | SUBROUTINE | | BASICS, MODELQ, relcor | | 📁 | | ⬜ |
|
||||
| compt0.f | COMPT0 | SUBROUTINE | | BASICS, MODELQ, ALIPAR, ITERAT, auxcbc | | | compt0.rs | ✅ |
|
||||
| comset.f | COMSET | SUBROUTINE | | BASICS, MODELQ, comgfs, auxcbc | | | comset.rs | ✅ |
|
||||
| concor.f | CONCOR | SUBROUTINE | | BASICS, MODELQ | CONOUT | 📁 | | ⬜ |
|
||||
| conout.f | CONOUT | SUBROUTINE | | BASICS, MODELQ, ALIPAR, CUBCON | MEANOP, MEANOPT, CONVEC, OPACF0 | 📁 | | ⬜ |
|
||||
| conref.f | CONREF | SUBROUTINE | | BASICS, MODELQ, ARRAY1, imucnn, CUBCON | CONVC1, WNSTOR, STEQEQ, ELDENS, CONVEC, CONOUT | 📁 | | ⬜ |
|
||||
| contmd.f | CONTMD | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ALIPAR, PRSAUX, CUBCON | MEANOP, WNSTOR, STEQEQ, OPACF0, CONVEC, CONOUT, CUBIC | 📁 | | ⬜ |
|
||||
| contmp.f | CONTMP | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ALIPAR, ichndm, CUBCON | MEANOP, WNSTOR, STEQEQ, ELDENS, OPACF0, CONVEC, MEANOPT, CONOUT, CUBIC | 📁 | | ⬜ |
|
||||
| convc1.f | CONVC1 | SUBROUTINE | | BASICS, CUBCON | TRMDER, TRMDRT | | | ⬜ |
|
||||
| convec.f | CONVEC | SUBROUTINE | | BASICS, CUBCON | TRMDER, TRMDRT | | | ⬜ |
|
||||
| coolrt.f | COOLRT | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ODFPAR, ALIPAR, ARRAY1, ITERAT, COOLCO | OPACFA, RTEFR1 | 📁 | | ⬜ |
|
||||
| corrwm.f | CORRWM | SUBROUTINE | | BASICS, ATOMIC, MODELQ | QUIT | 📁 | | ⬜ |
|
||||
| cross.f | CROSS | FUNCTION | | BASICS, ATOMIC, MODELQ | CROSS | | cross.rs | ✅ |
|
||||
| crossd.f | CROSSD | FUNCTION | | BASICS, ATOMIC, MODELQ | CROSSD | | cross.rs | ✅ |
|
||||
| cspec.f | CSPEC | SUBROUTINE | | BASICS, ATOMIC | QUIT | | | ⬜ |
|
||||
| ctdata.f | CTDATA | BLOCK DATA | | CTIon, CTRecomb | | | ctdata.rs | ✅ |
|
||||
| cubic.f | CUBIC | SUBROUTINE | | BASICS, CUBCON | | | cubic.rs | ✅ |
|
||||
| dielrc.f | DIELRC | SUBROUTINE | ✓ | | | | dielrc.rs | ✅ |
|
||||
| dietot.f | DIETOT | SUBROUTINE | | BASICS, ATOMIC, MODELQ | DIELRC | 📁 | | ⬜ |
|
||||
| divstr.f | DIVSTR | SUBROUTINE | | BASICS, MODELQ | | | divstr.rs | ✅ |
|
||||
| dmder.f | DMDER | SUBROUTINE | | BASICS, ATOMIC, MODELQ, DEPTDR | | | dmder.rs | ✅ |
|
||||
| dmeval.f | DMEVAL | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ITERAT, ARRAY1 | | 📁 | | ⬜ |
|
||||
| dopgam.f | DOPGAM | SUBROUTINE | | BASICS, ATOMIC, MODELQ | GAMSP | | dopgam.rs | ✅ |
|
||||
| dwnfr.f | DWNFR | SUBROUTINE | | BASICS, MODELQ | | | dwnfr.rs | ✅ |
|
||||
| dwnfr0.f | DWNFR0 | SUBROUTINE | | BASICS, MODELQ | | | dwnfr0.rs | ✅ |
|
||||
| dwnfr1.f | DWNFR1 | SUBROUTINE | | BASICS, MODELQ | | | dwnfr1.rs | ✅ |
|
||||
| eint.f | EINT | SUBROUTINE | ✓ | | EXPINX | | expint.rs | ✅ |
|
||||
| elcor.f | ELCOR | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ADCHAR | WNSTOR, STEQEQ, STATE, MOLEQ | 📁 | | ⬜ |
|
||||
| eldenc.f | ELDENC | SUBROUTINE | | BASICS, MODELQ, ATOMIC, eletab, hmolab, eospar | RHONEN, STATE, MOLEQ | 📁 | | ⬜ |
|
||||
| eldens.f | ELDENS | SUBROUTINE | | BASICS, MODELQ, ATOMIC, terden, eospar | ENTENE, STATE, MPARTF, LINEQS, MOLEQ | 📁 | | ⬜ |
|
||||
| emat.f | EMAT | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ARRAY1, ALIPAR | | | emat.rs | ✅ |
|
||||
| entene.f | ENTENE | SUBROUTINE | | BASICS, ATOMIC, MODELQ | MPARTF | | | ⬜ |
|
||||
| erfcin.f | ERFCIN | FUNCTION | ✓ | | ERFCIN | | erfcx.rs | ✅ |
|
||||
| erfcx.f | ERFCX | FUNCTION | ✓ | | ERFCX | | erfcx.rs | ✅ |
|
||||
| expint.f | EXPINT | FUNCTION | ✓ | | EXPINT | | expint.rs | ✅ |
|
||||
| expinx.f | EXPINX | SUBROUTINE | ✓ | | | | expint.rs | ✅ |
|
||||
| expo.f | EXPO | FUNCTION | ✓ | | EXPO | | expo.rs | ✅ |
|
||||
| ffcros.f | FFCROS | FUNCTION | ✓ | | FFCROS | | ffcros.rs | ✅ |
|
||||
| gami.f | GAMI | FUNCTION | ✓ | | GAMI | | gami.rs | ✅ |
|
||||
| gamsp.f | GAMSP | SUBROUTINE | ✓ | BASICS | | | gamsp.rs | ✅ |
|
||||
| gauleg.f | GAULEG | SUBROUTINE | ✓ | | | | gauleg.rs | ✅ |
|
||||
| gaunt.f | GAUNT | FUNCTION | ✓ | | GAUNT | | gaunt.rs | ✅ |
|
||||
| getlal.f | GETLAL | SUBROUTINE | | BASICS, callardc, callarda, calphatd, callardg, callardb, quasun | | 📁 | | ⬜ |
|
||||
| getwrd.f | GETWRD | SUBROUTINE | ✓ | | | | getwrd.rs | ✅ |
|
||||
| gfree0.f | GFREE0 | SUBROUTINE | | BASICS, MODELQ | | | gfree.rs | ✅ |
|
||||
| gfree1.f | GFREE1 | FUNCTION | | BASICS, MODELQ | GFREE1 | | gfree.rs | ✅ |
|
||||
| gfreed.f | GFREED | SUBROUTINE | | BASICS, MODELQ | | | gfree.rs | ✅ |
|
||||
| ghydop.f | GHYDOP | SUBROUTINE | | BASICS, MODELQ, ATOMIC, intcfg | | | ghydop.rs | ✅ |
|
||||
| gntk.f | GNTK | FUNCTION | ✓ | | GNTK | | gntk.rs | ✅ |
|
||||
| gomini.f | GOMINI | SUBROUTINE | | BASICS, MODELQ, intcfg | | 📁 | | ⬜ |
|
||||
| grcor.f | GRCOR | SUBROUTINE | ✓ | | | | grcor.rs | ✅ |
|
||||
| greyd.f | GREYD | SUBROUTINE | | BASICS, MODELQ, ATOMIC, ALIPAR | WNSTOR, RHONEN, STEQEQ, OPACF0, MEANOP | 📁 | | ⬜ |
|
||||
| gridp.f | GRIDP | SUBROUTINE | ✓ | BASICS | | | gridp.rs | ✅ |
|
||||
| h2minus.f | H2MINUS | SUBROUTINE | | BASICS | LOCATE | 📁 | | ⬜ |
|
||||
| hction.f | HCTION | FUNCTION | | CTRTEMP, CTIon | HCTION | | ctdata.rs | ✅ |
|
||||
| hctrecom.f | HCTRECOM | FUNCTION | | CTRTEMP, CTRecomb | HCTRECOM | | ctdata.rs | ✅ |
|
||||
| hedif.f | HEDIF | SUBROUTINE | | BASICS, MODELQ, ATOMIC, hediff | | 📁 | | ⬜ |
|
||||
| hephot.f | HEPHOT | FUNCTION | ✓ | | HEPHOT | | hephot.rs | ✅ |
|
||||
| hesol6.f | HESOL6 | SUBROUTINE | | BASICS, MODELQ, PRSAUX | MATINV | | | ⬜ |
|
||||
| hesolv.f | HESOLV | SUBROUTINE | | BASICS, MODELQ, PRSAUX | MATINV, RHONEN, STEQEQ, WNSTOR | 📁 | | ⬜ |
|
||||
| hidalg.f | HIDALG | FUNCTION | ✓ | | HIDALG | | hidalg.rs | ✅ |
|
||||
| ijali2.f | IJALI2 | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ODFPAR | QUIT | 📁 | | ⬜ |
|
||||
| ijalis.f | IJALIS | SUBROUTINE | | BASICS, ATOMIC, MODELQ | | 📁 | | ⬜ |
|
||||
| incldy.f | INCLDY | SUBROUTINE | | BASICS, ATOMIC, MODELQ | LEVSOL, RATMAT, WNSTOR, QUIT, SABOLF | 📁 | | ⬜ |
|
||||
| indexx.f | INDEXX | SUBROUTINE | ✓ | | | | indexx.rs | ✅ |
|
||||
| inicom.f | INICOM | SUBROUTINE | | BASICS, ATOMIC, MODELQ, comgfs | | | inicom.rs | ✅ |
|
||||
| inifrc.f | INIFRC | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ODFPAR, ijflar | INDEXX | 📁 | | ⬜ |
|
||||
| inifrs.f | INIFRS | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ODFPAR | INDEXX, QUIT | 📁 | | ⬜ |
|
||||
| inifrt.f | INIFRT | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ijflar | INDEXX | 📁 | | ⬜ |
|
||||
| inilam.f | INILAM | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ITERAT, ALIPAR | OPACF1, RTEFR1, COLIS, OPAINI, WNSTOR, STEQEQ, SABOLF, ELCOR, RATES1 | | | ⬜ |
|
||||
| initia.f | INITIA | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ITERAT, ODFPAR, ALIPAR, STRPAR, INUNIT, freqcl | RDATA, RDATAX, OPADD0, STATE, DOPGAM, ODFHYS, INTERP, LINSET, NSTPAR, QUIT, LINSPL, INIFRC, READBF | 📁 | | ⬜ |
|
||||
| inkul.f | INKUL | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ODFPAR, COLKUR, LINED | | 📁 | | ⬜ |
|
||||
| inpdis.f | INPDIS | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ITERAT, ODFPAR, ALIPAR, relcor | GRCOR | 📁 | | ⬜ |
|
||||
| inpmod.f | INPMOD | SUBROUTINE | | BASICS, ATOMIC, MODELQ, eospar | LEVSOL, RATMAT, WNSTOR, QUIT, SABOLF, MOLEQ, KURUCZ, INCLDY | 📁 | | ⬜ |
|
||||
| interp.f | INTERP | SUBROUTINE | ✓ | BASICS | | | interp.rs | ✅ |
|
||||
| inthyd.f | INTHYD | SUBROUTINE | | BASICS, MODELQ | DIVSTR | | inthyd.rs | ✅ |
|
||||
| intlem.f | INTLEM | SUBROUTINE | | BASICS, MODELQ | INTHYD | | intlem.rs | ✅ |
|
||||
| intxen.f | INTXEN | SUBROUTINE | | BASICS, MODELQ | | | intxen.rs | ✅ |
|
||||
| irc.f | IRC | SUBROUTINE | ✓ | | EXPINX, SZIRC | | irc.rs | ✅ |
|
||||
| iroset.f | IROSET | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ODFPAR, LINED | LEVCD, QUIT, INKUL | 📁 | | ⬜ |
|
||||
| kurucz.f | KURUCZ | SUBROUTINE | | BASICS, ATOMIC, MODELQ, temlim | LEVSOL, RATMAT, WNSTOR, RHONEN, QUIT, SABOLF, MOLEQ | 📁 | | ⬜ |
|
||||
| lagran.f | LAGRAN | SUBROUTINE | ✓ | | | | interpolate.rs | ✅ |
|
||||
| laguer.f | LAGUER | SUBROUTINE | | | | 📁 | laguer.rs | ✅ |
|
||||
| lemini.f | LEMINI | SUBROUTINE | | BASICS, MODELQ | | 📁 | | ⬜ |
|
||||
| levcd.f | LEVCD | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ODFPAR, COLKUR | INDEXX, QUIT | 📁 | | ⬜ |
|
||||
| levgrp.f | LEVGRP | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ITERAT | | | levgrp.rs | ✅ |
|
||||
| levset.f | LEVSET | SUBROUTINE | | BASICS, ATOMIC, MODELQ | QUIT | | | ⬜ |
|
||||
| levsol.f | LEVSOL | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ITERAT | LINEQS | | levsol.rs | ✅ |
|
||||
| lineqs.f | LINEQS | SUBROUTINE | ✓ | BASICS | | | lineqs.rs | ✅ |
|
||||
| linpro.f | LINPRO | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ODFPAR, quasun | STARK0, DOPGAM, INTLEM, DIVSTR, INTXEN | | | ⬜ |
|
||||
| linsel.f | LINSEL | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ODFPAR, ALIPAR | OPAINI, QUIT, OPACF1, RTEFR1 | 📁 | | ⬜ |
|
||||
| linset.f | LINSET | SUBROUTINE | | BASICS, ATOMIC, MODELQ | IJALIS, STARK0, QUIT, DIVSTR | 📁 | | ⬜ |
|
||||
| linspl.f | LINSPL | SUBROUTINE | | BASICS, ATOMIC, MODELQ | | | linspl.rs | ✅ |
|
||||
| locate.f | LOCATE | SUBROUTINE | ✓ | | | | locate.rs | ✅ |
|
||||
| ltegr.f | LTEGR | SUBROUTINE | | BASICS, ATOMIC, MODELQ | INTERP, WNSTOR, STEQEQ, QUIT, ROSSOP, CONOUT | 📁 | | ⬜ |
|
||||
| ltegrd.f | LTEGRD | SUBROUTINE | | BASICS, MODELQ, FACTRS, CUBCON, TOTJHK, FLXAUX, PRSAUX | TEMPER, INTERP, ZMRHO, WNSTOR, STEQEQ, ELDENS, QUIT, CONOUT | 📁 | | ⬜ |
|
||||
| lucy.f | LUCY | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ODFPAR, ITERAT, ALIPAR, ARRAY1 | OPACFL, RTEFR1, COLIS, WNSTOR, STEQEQ, SABOLF, ELCOR, OPAINI | 📁 | | ⬜ |
|
||||
| lymlin.f | LYMLIN | SUBROUTINE | | BASICS, ATOMIC, MODELQ | STARK0, DIVSTR | 📁 | | ⬜ |
|
||||
| matcon.f | MATCON | SUBROUTINE | | BASICS, MODELQ, ARRAY1, CUBCON | CONVEC | | | ⬜ |
|
||||
| matgen.f | MATGEN | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ARRAY1, ALIPAR | BHED, BRTE, BHEZ, BREZ, MATCON, BRTEZ, EMAT, BHE, SABOLF, BPOP, BRE | | | ⬜ |
|
||||
| matinv.f | MATINV | SUBROUTINE | ✓ | BASICS | | | matinv.rs | ✅ |
|
||||
| meanop.f | MEANOP | SUBROUTINE | | BASICS, MODELQ, ATOMIC | | | meanop.rs | ✅ |
|
||||
| meanopt.f | MEANOPT | SUBROUTINE | | BASICS, MODELQ | OPCTAB | | | ⬜ |
|
||||
| minv3.f | MINV3 | SUBROUTINE | ✓ | | | | minv3.rs | ✅ |
|
||||
| moleq.f | MOLEQ | SUBROUTINE | | BASICS, MODELQ, ATOMIC, COMFH1, entrop, moldat, eospar, adchar, ioniz2, terden, hmolab | RUSSEL, MPARTF | 📁 | | ⬜ |
|
||||
| mpartf.f | MPARTF | SUBROUTINE | | moldat | | 📁 | | ⬜ |
|
||||
| newdm.f | NEWDM | SUBROUTINE | | BASICS, MODELQ, FACTRS, PRSAUX, FLXAUX | INTERP, TEMPER | 📁 | | ⬜ |
|
||||
| newdmt.f | NEWDMT | SUBROUTINE | | BASICS, MODELQ, FACTRS, PRSAUX, FLXAUX | GRIDP, INTERP, TEMPER | 📁 | | ⬜ |
|
||||
| newpop.f | NEWPOP | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ITERAT | | 📁 | | ⬜ |
|
||||
| nstout.f | NSTOUT | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ITERAT, ODFPAR, ALIPAR | QUIT | 📁 | | ⬜ |
|
||||
| nstpar.f | NSTPAR | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ITERAT, ODFPAR, ALIPAR, imucnn, temlim, adiaba, ifpzpa, derdif, ichndm, ipricr, deridt, hediff, FLXAUX, irwint, moldat, quasun, freqcl, icnrsp | QUIT, GETWRD | 📁 | | ⬜ |
|
||||
| odf1.f | ODF1 | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ODFPAR | DWNFR, ODFHST, DIVSTR | 📁 | | ⬜ |
|
||||
| odffr.f | ODFFR | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ODFPAR | QUIT | | | ⬜ |
|
||||
| odfhst.f | ODFHST | SUBROUTINE | | BASICS, MODELQ, ODFPAR | | | odfhst.rs | ✅ |
|
||||
| odfhyd.f | ODFHYD | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ODFPAR | INDEXX, ODFHST, DIVSTR | | | ⬜ |
|
||||
| odfhys.f | ODFHYS | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ODFPAR | IJALIS, STARK0, ODFFR | | | ⬜ |
|
||||
| odfmer.f | ODFMER | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ODFPAR | ODFHYD | | | ⬜ |
|
||||
| odfset.f | ODFSET | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ODFPAR, STFCR | IJALIS, QUIT | 📁 | | ⬜ |
|
||||
| opacf0.f | OPACF0 | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ODFPAR, ALIPAR, hmolab | GFREE0, DWNFR1, DWNFR0, WNSTOR, LINPRO, SABOLF, SGMER1, OPADD, OPACT1 | | | ⬜ |
|
||||
| opacf1.f | OPACF1 | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ODFPAR, ALIPAR, ipricr, hmolab | QUASIM, GHYDOP, DWNFR1, LYMLIN, SGMER1, OPADD, PRD, OPACT1 | 📁 | | ⬜ |
|
||||
| opacfa.f | OPACFA | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ODFPAR, ALIPAR, COOLCO | SGMER1, OPADD, PRD, DWNFR1 | | | ⬜ |
|
||||
| opacfd.f | OPACFD | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ODFPAR, ALIPAR, ARRAY1, ITERAT, dsctva, hmolab, rhoder | OPACTD, QUASIM, DWNFR1, LYMLIN, OPCTAB, SGMER1, OPADD, PRD, GFREED | 📁 | | ⬜ |
|
||||
| opacfl.f | OPACFL | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ODFPAR, ALIPAR | SGMER1, OPADD, DWNFR1 | | | ⬜ |
|
||||
| opact1.f | OPACT1 | SUBROUTINE | | BASICS, MODELQ, ALIPAR, hmolab | OPCTAB | | | ⬜ |
|
||||
| opactd.f | OPACTD | SUBROUTINE | | BASICS, MODELQ, ALIPAR, ARRAY1, ITERAT, dsctva, hmolab, rhoder | OPCTAB | | | ⬜ |
|
||||
| opactr.f | OPACTR | SUBROUTINE | | BASICS, MODELQ, ALIPAR, ATOMIC, dsctva, hmolab, grdpra | RATMAL, OPACF1, LEVSOL, WNSTOR, STEQEQ, ELDENS, SABOLF, OPAINI, PGSET | | | ⬜ |
|
||||
| opadd.f | OPADD | SUBROUTINE | | BASICS, ATOMIC, MODELQ, eospar | CIA_H2H, CIA_H2HE, CIA_HHE, H2MINUS, CIA_H2H2 | | | ⬜ |
|
||||
| opadd0.f | OPADD0 | SUBROUTINE | | BASICS, ATOMIC, MODELQ | QUIT | | | ⬜ |
|
||||
| opahst.f | OPAHST | SUBROUTINE | | BASICS, ODFPAR | STARK0 | 📁 | | ⬜ |
|
||||
| opaini.f | OPAINI | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ODFPAR, ALIPAR | DWNFR0, REFLEV, WNSTOR, LINPRO, SABOLF, LEVGRP | | | ⬜ |
|
||||
| opctab.f | OPCTAB | SUBROUTINE | | BASICS, MODELQ | RAYLEIGH | | | ⬜ |
|
||||
| opdata.f | OPDATA | SUBROUTINE | | TOPB | | 📁 | | ⬜ |
|
||||
| opfrac.f | OPFRAC | SUBROUTINE | | pfoptb | | 📁 | | ⬜ |
|
||||
| osccor.f | OSCCOR | SUBROUTINE | | BASICS, MODELQ, ITERAT | | 📁 | | ⬜ |
|
||||
| outpri.f | OUTPRI | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ARRAY1, grdpra | RATMAL, OPACF1, LEVSOL, WNSTOR, SABOLF | 📁 | | ⬜ |
|
||||
| output.f | OUTPUT | SUBROUTINE | | BASICS, MODELQ | | 📁 | | ⬜ |
|
||||
| partf.f | PARTF | SUBROUTINE | | BASICS, irwint, PFSTDS | PFFE, PFNI, OPFRAC, MPARTF, PFHEAV, PFSPEC, PFCNO | | | ⬜ |
|
||||
| pfcno.f | PFCNO | SUBROUTINE | ✓ | BASICS | | | pfcno.rs | ✅ |
|
||||
| pffe.f | PFFE | SUBROUTINE | ✓ | | | | pffe.rs | ✅ |
|
||||
| pfheav.f | PFHEAV | SUBROUTINE | | | | 📁 | | ⬜ |
|
||||
| pfni.f | PFNI | SUBROUTINE | ✓ | | | | pfni.rs | ✅ |
|
||||
| pfspec.f | PFSPEC | SUBROUTINE | ✓ | | | | pfspec.rs | ✅ |
|
||||
| pgset.f | PGSET | SUBROUTINE | | BASICS, ITERAT, MODELQ, rybpgs, grdpra | TRIDAG | 📁 | | ⬜ |
|
||||
| prchan.f | PRCHAN | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ITERAT | | 📁 | | ⬜ |
|
||||
| prd.f | PRD | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ITERAT | DOPGAM | | | ⬜ |
|
||||
| prdini.f | PRDINI | SUBROUTINE | | BASICS, ATOMIC, MODELQ | | | prdini.rs | ✅ |
|
||||
| princ.f | PRINC | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ALIPAR | LINPRO, DWNFR, OPACF1, SABOLF | 📁 | | ⬜ |
|
||||
| prnt.f | PRNT | SUBROUTINE | | BASICS, ATOMIC, MODELQ | SABOLF | 📁 | | ⬜ |
|
||||
| profil.f | PROFIL | FUNCTION | | BASICS, ATOMIC, MODELQ, quasun | PROFIL, STARK0, DIVSTR | | profil.rs | ✅ |
|
||||
| profsp.f | PROFSP | FUNCTION | | BASICS, ATOMIC, MODELQ | PROFSP, SABOLF | | | ⬜ |
|
||||
| prsent.f | PRSENT | SUBROUTINE | | tdflag, tdedge, THERM, TABLTD | | 📁 | | ⬜ |
|
||||
| psolve.f | PSOLVE | SUBROUTINE | | BASICS, MODELQ | | | psolve.rs | ✅ |
|
||||
| pzert.f | PZERT | SUBROUTINE | | BASICS, ATOMIC, MODELQ | | | pzert.rs | ✅ |
|
||||
| pzeval.f | PZEVAL | SUBROUTINE | | BASICS, MODELQ, ALIPAR, icnrsp | CONOUT | 📁 | | ⬜ |
|
||||
| pzevld.f | PZEVLD | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ALIPAR, ARRAY1, ifpzpa, PRSAUX, grdpra, DEPTDR | | | pzevld.rs | ✅ |
|
||||
| quartc.f | QUARTC | SUBROUTINE | | | | 📁 | quartc.rs | ✅ |
|
||||
| quasim.f | QUASIM | SUBROUTINE | | BASICS, ATOMIC, MODELQ, quasun | ALLARD | | | ⬜ |
|
||||
| quit.f | QUIT | SUBROUTINE | | | | 📁 | quit.rs | ✅ |
|
||||
| radpre.f | RADPRE | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ODFPAR, ALIPAR | QUIT, INDEXX, OPACF1, RTEFR1 | 📁 | | ⬜ |
|
||||
| radtot.f | RADTOT | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ODFPAR, ALIPAR, ITERAT, OPTDPT, TOTJHK, SURFEX | OPAINI, OPACF1, RTEFR1 | | | ⬜ |
|
||||
| raph.f | RAPH | FUNCTION | ✓ | | RAPH | | raph.rs | ✅ |
|
||||
| rates1.f | RATES1 | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ODFPAR, ALIPAR, ITERAT | ROSSTD, OPACF1, RTEFR1 | | | ⬜ |
|
||||
| ratmal.f | RATMAL | SUBROUTINE | | BASICS, ATOMIC, MODELQ | | | ratmal.rs | ✅ |
|
||||
| ratmat.f | RATMAT | SUBROUTINE | | BASICS, ATOMIC, MODELQ | REFLEV | | | ⬜ |
|
||||
| ratsp1.f | RATSP1 | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ODFPAR, ALIPAR, ARRAY1, ITERAT | ROSSTD, OPACF1, RTEFR1 | 📁 | | ⬜ |
|
||||
| rayini.f | RAYINI | SUBROUTINE | | BASICS, MODELQ, ATOMIC | RAYLEIGH | 📁 | | ⬜ |
|
||||
| rayleigh.f | RAYLEIGH | SUBROUTINE | | BASICS, ATOMIC, MODELQ, RAYSCT, eospar | | | rayleigh.rs | ✅ |
|
||||
| rayset.f | RAYSET | SUBROUTINE | | BASICS, MODELQ | | | rayset.rs | ✅ |
|
||||
| rdata.f | RDATA | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ITERAT, ODFPAR, ALIPAR, STRPAR, INUNIT, imodlc | RDATAX, LINSET, QUIT, DOPGAM | 📁 | | ⬜ |
|
||||
| rdatax.f | RDATAX | SUBROUTINE | | BASICS, ATOMIC, MODELQ | BKHSGO | 📁 | | ⬜ |
|
||||
| readbf.f | READBF | SUBROUTINE | | BASICS | | 📁 | | ⬜ |
|
||||
| rechck.f | RECHCK | SUBROUTINE | | BASICS, ATOMIC, MODELQ | OPACF1, RTEFR1 | 📁 | | ⬜ |
|
||||
| reflev.f | REFLEV | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ITERAT | | | | ⬜ |
|
||||
| reiman.f | REIMAN | FUNCTION | ✓ | | REIMAN | | reiman.rs | ✅ |
|
||||
| resolv.f | RESOLV | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ITERAT, ALIPAR, ARRAY1, icnrsp | NEWPOP, TAUFR1, TIMING, OPACF1, RTEFR1, ROSSTD, STEQEQ, CONOUT, ELCOR, OPAINI, RATES1, PRD | 📁 | | ⬜ |
|
||||
| rhoeos.f | RHOEOS | FUNCTION | | BASICS, MODELQ | PRSENT, RHOEOS | | | ⬜ |
|
||||
| rhonen.f | RHONEN | SUBROUTINE | | BASICS, MODELQ | ELDENS | | | ⬜ |
|
||||
| rhsgen.f | RHSGEN | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ARRAY1, ALIPAR, CUBCON | MATINV, STATE, RATMAT, COMPT0, SABOLF, CONVEC, LEVGRP | | | ⬜ |
|
||||
| rossop.f | ROSSOP | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ALIPAR | WNSTOR, STEQEQ, ELDENS, OPACF0, MEANOP, MEANOPT | | | ⬜ |
|
||||
| rosstd.f | ROSSTD | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ITERAT, ALIPAR | | 📁 | | ⬜ |
|
||||
| rte_sc.f | RTE_SC | SUBROUTINE | ✓ | BASICS | | | rte_sc.rs | ✅ |
|
||||
| rteang.f | RTEANG | SUBROUTINE | | BASICS, MODELQ, ALIPAR, EXTINT, SURFEX | GAULEG | | | ⬜ |
|
||||
| rtecf0.f | RTECF0 | SUBROUTINE | | BASICS, MODELQ, ALIPAR, ITERAT, OPTDPT, auxcbc, AUXRTE | | | | ⬜ |
|
||||
| rtecf1.f | RTECF1 | SUBROUTINE | | BASICS, MODELQ, ALIPAR, ITERAT, OPTDPT, comgfs, AUXRTE, EXTINT, SURFEX | RTEFE2, RTESOL, RTECF0 | 📁 | | ⬜ |
|
||||
| rtecmc.f | RTECMC | SUBROUTINE | | BASICS, MODELQ, ALIPAR, ITERAT, comgfs, AUXRTE | MATINV, OPACF1, RTECF0 | | | ⬜ |
|
||||
| rtecmu.f | RTECMU | SUBROUTINE | | BASICS, MODELQ, ALIPAR, ITERAT, OPTDPT, AUXRTE | RTESOL, OPACF1, RTECF0, GAULEG | 📁 | | ⬜ |
|
||||
| rtecom.f | RTECOM | SUBROUTINE | | BASICS, MODELQ, ALIPAR, ITERAT, OPTDPT, comgfs, AUXRTE | OPACF1, RTECF0, RTECF1 | | | ⬜ |
|
||||
| rtedf1.f | RTEDF1 | SUBROUTINE | | BASICS, MODELQ, ALIPAR, OPTDPT | | | rtedf1.rs | ✅ |
|
||||
| rtedf2.f | RTEDF2 | SUBROUTINE | | BASICS, MODELQ, ALIPAR | | | | ⬜ |
|
||||
| rtefe2.f | RTEFE2 | SUBROUTINE | ✓ | BASICS | | | rtefe2.rs | ✅ |
|
||||
| rtefr1.f | RTEFR1 | SUBROUTINE | | BASICS, MODELQ, ALIPAR, ITERAT, OPTDPT | MATINV, RTESOL, RTEDF1, RTECF1, RTEDF2, MINV3 | 📁 | | ⬜ |
|
||||
| rteint.f | RTEINT | SUBROUTINE | | BASICS, MODELQ, ALIPAR, ITERAT, OPTDPT | MATINV, OPACF1 | 📁 | | ⬜ |
|
||||
| rtesol.f | RTESOL | SUBROUTINE | ✓ | BASICS | | | rtesol.rs | ✅ |
|
||||
| russel.f | RUSSEL | SUBROUTINE | | BASICS, MODELQ, COMFH1 | MPARTF | 📁 | | ⬜ |
|
||||
| rybchn.f | RYBCHN | SUBROUTINE | | BASICS, ITERAT, MODELQ, ALIPAR, ARRAY1, rybpgs, grdpra | PGSET, ELDENS | 📁 | | ⬜ |
|
||||
| rybene.f | RYBENE | SUBROUTINE | | BASICS, MODELQ, ALIPAR, ARRAY1, RYBMTX, deridt, CUBCON | CONVEC | | | ⬜ |
|
||||
| rybheq.f | RYBHEQ | SUBROUTINE | | BASICS, MODELQ, rybpgs, grdpra | OPACF1, RTEFR1, WNSTOR, STEQEQ, ELDENS, ELCOR, OPAINI, PGSET | 📁 | | ⬜ |
|
||||
| rybmat.f | RYBMAT | SUBROUTINE | | BASICS, MODELQ, ALIPAR, ARRAY1, dsctva, RYBMTX | | | | ⬜ |
|
||||
| rybsol.f | RYBSOL | SUBROUTINE | | BASICS, MODELQ, ATOMIC, ALIPAR, ARRAY1, ITERAT, imodlc, RYBMTX | RYBMAT, RTEFR1, ROSSTD, OPACTR, LINEQS, STEQEQ, ALIFR1, TRIDAG, RYBCHN, OPACFD | 📁 | | ⬜ |
|
||||
| sabolf.f | SABOLF | SUBROUTINE | | BASICS, ATOMIC, MODELQ | PARTF | | | ⬜ |
|
||||
| sbfch.f | SBFCH | FUNCTION | ✓ | | SBFCH | | sbfch.rs | ✅ |
|
||||
| sbfhe1.f | SBFHE1 | FUNCTION | | BASICS, ATOMIC | SBFHE1, QUIT | 📁 | sbfhe1.rs | ✅ |
|
||||
| sbfhmi.f | SBFHMI | FUNCTION | ✓ | | SBFHMI | | sbfhmi.rs | ✅ |
|
||||
| sbfhmi_old.f | SBFHMI_OLD | FUNCTION | ✓ | | SBFHMI_OLD | | sbfhmi_old.rs | ✅ |
|
||||
| sbfoh.f | SBFOH | FUNCTION | ✓ | | SBFOH | | sbfoh.rs | ✅ |
|
||||
| setdrt.f | SETDRT | SUBROUTINE | | BASICS, MODELQ, RHODER | | | | ⬜ |
|
||||
| settrm.f | SETTRM | SUBROUTINE | | tdflag, tdedge, THERM, TABLTD | PRSENT | 📁 | | ⬜ |
|
||||
| sffhmi.f | SFFHMI | FUNCTION | ✓ | | SFFHMI | | sffhmi.rs | ✅ |
|
||||
| sffhmi_add.f | SFFHMI_ADD | FUNCTION | ✓ | | SFFHMI_ADD | | sffhmi_add.rs | ✅ |
|
||||
| sghe12.f | SGHE12 | FUNCTION | ✓ | | SGHE12 | | sghe12.rs | ✅ |
|
||||
| sgmer0.f | SGMER0 | SUBROUTINE | | BASICS, ATOMIC, MODELQ | | | sgmer.rs | ✅ |
|
||||
| sgmer1.f | SGMER1 | SUBROUTINE | | BASICS, ATOMIC, MODELQ | | | sgmer.rs | ✅ |
|
||||
| sgmerd.f | SGMERD | SUBROUTINE | | BASICS, ATOMIC, MODELQ | | | sgmer.rs | ✅ |
|
||||
| sigave.f | SIGAVE | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ODFPAR | | 📁 | | ⬜ |
|
||||
| sigk.f | SIGK | FUNCTION | | BASICS, ATOMIC | SPSIGK, SIGK | | | ⬜ |
|
||||
| sigmar.f | SIGMAR | FUNCTION | | BASICS | SIGMAR, LAGUER | 📁 | | ⬜ |
|
||||
| solve.f | SOLVE | SUBROUTINE | | BASICS, ITERAT, MODELQ, ARRAY1, ALIPAR, CMATZD | MATINV, PRCHAN, RHSGEN, WNSTOR, MATGEN | 📁 | | ⬜ |
|
||||
| solves.f | SOLVES | SUBROUTINE | | BASICS, ITERAT, MODELQ, ARRAY1, ALIPAR, STOMAT, CMATZD | MATINV, PRCHAN, RHSGEN, WNSTOR, MATGEN | 📁 | | ⬜ |
|
||||
| spsigk.f | SPSIGK | SUBROUTINE | ✓ | | CARBON | | spsigk.rs | ✅ |
|
||||
| srtfrq.f | SRTFRQ | SUBROUTINE | | BASICS, ATOMIC, MODELQ | INDEXX, QUIT | 📁 | | ⬜ |
|
||||
| stark0.f | STARK0 | SUBROUTINE | ✓ | | | | stark0.rs | ✅ |
|
||||
| starka.f | STARKA | FUNCTION | | BASICS, MODELQ | STARKA | | starka.rs | ✅ |
|
||||
| start.f | START | SUBROUTINE | | BASICS, hediff | | 📁 | | ⬜ |
|
||||
| state.f | STATE | SUBROUTINE | | BASICS, ATOMIC, MODELQ, terden, PFSTDS | OPFRAC, PARTF | 📁 | | ⬜ |
|
||||
| steqeq.f | STEQEQ | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ITERAT, POPSTR, PPAPAR | LEVSOL, RATMAT, SABOLF, MOLEQ | | | ⬜ |
|
||||
| switch.f | SWITCH | SUBROUTINE | | BASICS, ATOMIC, MODELQ | | 📁 | | ⬜ |
|
||||
| szirc.f | SZIRC | SUBROUTINE | ✓ | | EINT | | szirc.rs | ✅ |
|
||||
| tabini.f | TABINI | SUBROUTINE | | BASICS, MODELQ, ATOMIC, eletab, abntab, intcff | | 📁 | | ⬜ |
|
||||
| tabint.f | TABINT | SUBROUTINE | | BASICS, MODELQ, ATOMIC, intcff | | | | ⬜ |
|
||||
| taufr1.f | TAUFR1 | SUBROUTINE | | BASICS, MODELQ, ALIPAR, ITERAT, OPTDPT | | | | ⬜ |
|
||||
| tdpini.f | TDPINI | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ODFPAR, ALIPAR | GFREE0 | | tdpini.rs | ✅ |
|
||||
| temcor.f | TEMCOR | SUBROUTINE | | BASICS, MODELQ, ARRAY1, ALIPAR, CUBCON | MEANOP, WNSTOR, STEQEQ, ELDENS, OPACF0, CONVEC | 📁 | | ⬜ |
|
||||
| temper.f | TEMPER | SUBROUTINE | | BASICS, MODELQ, ALIPAR, FACTRS, PRSAUX, FLXAUX | WNSTOR, TLOCAL, STEQEQ, ELDENS, OPACF0, MEANOP, MEANOPT | 📁 | | ⬜ |
|
||||
| timing.f | TIMING | SUBROUTINE | | | | 📁 | | ⬜ |
|
||||
| tiopf.f | TIOPF | SUBROUTINE | ✓ | | | | tiopf.rs | ✅ |
|
||||
| tlocal.f | TLOCAL | SUBROUTINE | | BASICS, MODELQ, FACTRS, FLXAUX | QUARTC | | | ⬜ |
|
||||
| tlusty.f | TLUSTY | UNKNOWN | | BASICS, ITERAT, ALIPAR | TIMING | 📁 | | ⬜ |
|
||||
| topbas.f | TOPBAS | FUNCTION | | TOPB | TOPBAS | 📁 | | ⬜ |
|
||||
| traini.f | TRAINI | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ODFPAR | | | traini.rs | ✅ |
|
||||
| tridag.f | TRIDAG | SUBROUTINE | ✓ | | | | tridag.rs | ✅ |
|
||||
| trmder.f | TRMDER | SUBROUTINE | | BASICS, derdif, terden, adiaba | ELDENS | | | ⬜ |
|
||||
| trmdrt.f | TRMDRT | SUBROUTINE | | BASICS, tdedge, CC, tdflag, CONVOUT | PRSENT | | | ⬜ |
|
||||
| ubeta.f | UBETA | FUNCTION | ✓ | | UBETA, LAGRAN | | ubeta.rs | ✅ |
|
||||
| vern16.f | VERN16 | FUNCTION | ✓ | BASICS | VERN16 | | vern16.rs | ✅ |
|
||||
| vern18.f | VERN18 | FUNCTION | ✓ | BASICS | VERN18 | | vern18.rs | ✅ |
|
||||
| vern20.f | VERN20 | FUNCTION | ✓ | BASICS | VERN20 | | vern20.rs | ✅ |
|
||||
| vern26.f | VERN26 | FUNCTION | ✓ | BASICS | VERN26 | | vern26.rs | ✅ |
|
||||
| verner.f | VERNER | FUNCTION | | BASICS, ATOMIC | QUIT, VERNER | | verner.rs | ✅ |
|
||||
| visini.f | VISINI | SUBROUTINE | | BASICS, ATOMIC, MODELQ, ITERAT | | 📁 | | ⬜ |
|
||||
| voigt.f | VOIGT | FUNCTION | ✓ | | VOIGT | | voigt.rs | ✅ |
|
||||
| voigte.f | VOIGTE | FUNCTION | ✓ | | VOIGTE | | voigte.rs | ✅ |
|
||||
| wn.f | WN | FUNCTION | ✓ | BASICS | WN | | wn.rs | ✅ |
|
||||
| wnstor.f | WNSTOR | SUBROUTINE | | BASICS, ATOMIC, MODELQ | | | wnstor.rs | ✅ |
|
||||
| xenini.f | XENINI | SUBROUTINE | | BASICS, MODELQ | | 📁 | | ⬜ |
|
||||
| xk2dop.f | XK2DOP | FUNCTION | ✓ | | XK2DOP | | xk2dop.rs | ✅ |
|
||||
| yint.f | YINT | FUNCTION | ✓ | | YINT | | interpolate.rs | ✅ |
|
||||
| ylintp.f | YLINTP | FUNCTION | ✓ | | YLINTP | | ylintp.rs | ✅ |
|
||||
| zmrho.f | ZMRHO | SUBROUTINE | | BASICS, MODELQ | | | zmrho.rs | ✅ |
|
||||
110
MEMORY/MEMORY.md
110
MEMORY/MEMORY.md
@ -1,110 +0,0 @@
|
||||
# TLUSTY/SYNSPEC Rust 重构项目记忆
|
||||
|
||||
注意用中文回复
|
||||
|
||||
重要！！！：不要进行全量测试 `cargo test`，系统会卡死，需要时一个个来测
|
||||
|
||||
## 分离子模块（已经完成）
|
||||
```bash
|
||||
cd /home/fmq/program/tlusty/tl208-s54/rust
|
||||
python3 extract_fortran.py tlusty/tlusty208.f tlusty/extracted/
|
||||
cp tlusty/*.FOR tlusty/extracted/
|
||||
```
|
||||
|
||||
分离后的子文件在tlusty/extracted/下
|
||||
## common模块
|
||||
|
||||
common模块（×.FOR）已经重构到src/state目录下
|
||||
|
||||
## 重构追踪系统
|
||||
|
||||
```bash
|
||||
# 更新追踪表 (必须按顺序执行)
|
||||
python3 scripts/analyze_fortran.py > MEMORY/fortran_analysis.csv
|
||||
python3 scripts/generate_tracking.py > MEMORY/FORTRAN_TRACKING.md
|
||||
|
||||
# 依赖树分析命令
|
||||
python3 scripts/analyze_fortran.py --priority # 按未实现依赖排序的重构优先级（只显示pending）
|
||||
python3 scripts/analyze_fortran.py --tree UNIT # 输出依赖树（含未实现依赖数）
|
||||
python3 scripts/analyze_fortran.py --full # 输出完整传递依赖
|
||||
```
|
||||
|
||||
| 指标 | 数量 |
|
||||
|------|------|
|
||||
| 总单元 | 305 |
|
||||
| 已完成 | 107 |
|
||||
| 待处理 | 198 |
|
||||
| 完成率 | 35.1% |
|
||||
|
||||
## 重构流程
|
||||
|
||||
DATA 语句（硬编码的数据表）已经由scripts/extract_fortran_data.py生成到src/data.rs中
|
||||
|
||||
详细规范见 [MEMORY/REFACTORING_GUIDE.md](MEMORY/REFACTORING_GUIDE.md)
|
||||
|
||||
**步骤:**
|
||||
1. `python3 scripts/analyze_fortran.py --priority` - 找未实现依赖少的函数
|
||||
2. 分析tlusty/extracted/文件夹下对应的 Fortran 源码 (INCLUDE/COMMON/调用/I/O)
|
||||
3. 创建 `src/math/TARGET.rs`
|
||||
4. 实现函数 + 测试
|
||||
5. 添加到 `mod.rs`
|
||||
6. `cargo test target` (单个测试!)
|
||||
7. 更新追踪表
|
||||
|
||||
**SPECIAL_MAPPINGS** (`scripts/analyze_fortran.py` 第 72 行):
|
||||
```python
|
||||
SPECIAL_MAPPINGS = {
|
||||
'gfree': ['gfree0', 'gfreed', 'gfree1'],
|
||||
'interpolate': ['yint', 'lagran'],
|
||||
'sgmer': ['sgmer0', 'sgmer1', 'sgmerd'],
|
||||
'ctdata': ['hction', 'hctrecom'],
|
||||
'cross': ['cross', 'crossd'],
|
||||
'expint': ['eint', 'expinx'],
|
||||
'erfcx': ['erfcx', 'erfcin'],
|
||||
'lineqs': ['lineqs', 'lineqs_nr'],
|
||||
# 新增映射...
|
||||
}
|
||||
```
|
||||
|
||||
## 当前状态 (2026-03-20)
|
||||
|
||||
- **已完成**: 107 个函数 + 15 个状态模块
|
||||
- **测试通过**: 421+ 个
|
||||
- **最新完成**: alifrk.rs (Kantorovich 迭代简化版)
|
||||
|
||||
**查看实时进度**: `cat FORTRAN_TRACKING.md | head -20`
|
||||
|
||||
## 项目结构
|
||||
|
||||
```
|
||||
rust/src/
|
||||
├── math/ # 函数 (85+ 个 .rs 文件)
|
||||
├── state/ # COMMON 块 (8 个模块)
|
||||
│ ├── constants.rs # BASICS.FOR
|
||||
│ ├── atomic.rs # ATOMIC.FOR
|
||||
│ ├── model.rs # MODELQ.FOR
|
||||
│ ├── arrays.rs # ARRAY1.FOR
|
||||
│ ├── iterat.rs # ITERAT.FOR
|
||||
│ ├── alipar.rs # ALIPAR.FOR
|
||||
│ └── odfpar.rs # ODFPAR.FOR
|
||||
└── data.rs # 静态数据
|
||||
```
|
||||
|
||||
## 关键陷阱
|
||||
|
||||
| 问题 | 解决方案 |
|
||||
|------|----------|
|
||||
| Fortran 1-indexed | `arr(i)` → `arr[i-1]` |
|
||||
| `-LOG(X)` | 是 `-ln(X)` 不是 `ln(-X)` |
|
||||
| powi 类型歧义 | 用显式乘法 `(a)*(a)` |
|
||||
| 循环变量变负 | 用 `isize` 不用 `usize` |
|
||||
| 多项式近似精度 | 放宽到 1e-7 |
|
||||
| 矩阵列优先 | `A(j,i)` → `a[(i-1)*N + (j-1)]` |
|
||||
| COMMON 块冲突 | 添加前 grep 检查是否已存在 |
|
||||
| 循环变量重赋值 | 声明为 `mut` |
|
||||
|
||||
## 详细文档
|
||||
|
||||
- [MEMORY/REFACTORING_GUIDE.md](MEMORY/REFACTORING_GUIDE.md) - 重构规范 ⭐
|
||||
- [MEMORY/FORTRAN_TRACKING.md](MEMORY/FORTRAN_TRACKING.md) - 函数追踪表
|
||||
- [MEMORY/refactoring_notes.md](MEMORY/refactoring_notes.md) - 重构过程中遇到的问题及解决方法
|
||||
@ -1,374 +0,0 @@
|
||||
# TLUSTY Rust 重构规范
|
||||
|
||||
## 1. 选定下一个重构目标
|
||||
|
||||
优先处理依赖少无io的函数
|
||||
|
||||
注意：DATA 语句（硬编码的数据表）已经由scripts/extract_fortran_data.py生成到src/data.rs中
|
||||
|
||||
不要管复杂不复杂和有无common依赖，
|
||||
按python3 scripts/analyze_fortran.py --priority | head -10 的顺序来
|
||||
|
||||
分离出来的原始fortran函数在/home/fmq/program/tlusty/tl208-s54/rust/tlusty/extracted文件夹下
|
||||
### 优先级排序
|
||||
|
||||
**核心原则**: 优先处理"传递未实现依赖=0"的函数，它们不依赖其他未完成的函数。
|
||||
|
||||
按以下顺序选择待重构函数：
|
||||
|
||||
1. **无未实现依赖** (传递未实现=0)
|
||||
- 可立即开始，无需等待其他函数
|
||||
- 包括纯函数和只有 COMMON 依赖的函数
|
||||
|
||||
2. **少量未实现依赖** (传递未实现=1~3)
|
||||
- 需要先完成少数依赖函数
|
||||
- 用 `--tree` 查看具体依赖链
|
||||
|
||||
3. **多未实现依赖** (传递未实现>3)
|
||||
- 依赖链较长，最后处理
|
||||
- 或考虑整体重构策略
|
||||
|
||||
4. **有 I/O 依赖的函数**
|
||||
- 最后处理，可能需要设计新的 I/O 抽象层
|
||||
|
||||
### 查询命令
|
||||
|
||||
CSV 列结构: `fortran_file,unit_name,unit_type,is_pure,common_deps,call_deps,has_io,rust_module,status`
|
||||
|
||||
#### 依赖树分析
|
||||
|
||||
```bash
|
||||
# 输出重构优先级列表（按未实现依赖排序，推荐！）
|
||||
python3 scripts/analyze_fortran.py --priority
|
||||
|
||||
# 输出指定单元的依赖树
|
||||
python3 scripts/analyze_fortran.py --tree UNIT_NAME
|
||||
|
||||
# 输出完整传递依赖的 CSV
|
||||
python3 scripts/analyze_fortran.py --full > fortran_analysis_full.csv
|
||||
```
|
||||
|
||||
**优先级列表说明：**
|
||||
```
|
||||
重构优先级列表 (按未实现依赖排序)
|
||||
====================================================================================================
|
||||
单元名 未实现 传递未实现 深度 直接调用 传递调用 IO
|
||||
----------------------------------------------------------------------------------------------------
|
||||
C 0 0 0 0 0 ○
|
||||
ALIFR3 0 0 0 0 0 ○
|
||||
```
|
||||
- **未实现**: 直接依赖中未完成的函数数
|
||||
- **传递未实现**: 所有递归依赖中未完成的函数数（关键指标！）
|
||||
- **排序**: 传递未实现少 → 深度低 → 依赖少
|
||||
- 只显示未完成（pending）的函数
|
||||
- IO 列: ○ = 无IO, ✓ = 有IO
|
||||
|
||||
**依赖树输出示例：**
|
||||
```
|
||||
依赖树: ALISK1 ○
|
||||
============================================================
|
||||
直接依赖: 4, 传递依赖: 27, 未实现: 20
|
||||
未实现依赖: ALIFRK, OPACF1, OPADD, ROSSTD, ...
|
||||
------------------------------------------------------------
|
||||
○ ALISK1 (4未实现)
|
||||
├── ○ OPACF1 (6未实现)
|
||||
│ ├── ○ OPADD (5未实现)
|
||||
│ │ ├── ○ cia_h2h2 (1未实现)
|
||||
│ │ │ └── if [未找到/未实现]
|
||||
│ │ └── ✓ locate
|
||||
│ └── ...
|
||||
└── ○ ALIFRK
|
||||
```
|
||||
- ✓ = 已完成, ○ = 待处理
|
||||
- `(N未实现)` = 该节点有 N 个直接依赖未完成
|
||||
- 顶部汇总：传递未实现依赖数及列表
|
||||
- 子节点按未实现依赖数排序（多的在前）
|
||||
|
||||
#### 按纯度筛选
|
||||
|
||||
无io的纯函数已经全部实现重构
|
||||
#### 按 I/O 筛选
|
||||
|
||||
```bash
|
||||
# 有 I/O 的未完成函数 (最后处理)
|
||||
awk -F, '$7=="True" && $9=="pending"' fortran_analysis.csv
|
||||
|
||||
# 无 I/O 的未完成函数 (优先处理)
|
||||
awk -F, '$7=="False" && $9=="pending"' fortran_analysis.csv
|
||||
|
||||
# 无 I/O 且无调用依赖的未完成函数
|
||||
awk -F, '$6=="" && $7=="False" && $9=="pending"' fortran_analysis.csv
|
||||
```
|
||||
|
||||
#### 按 COMMON 依赖筛选
|
||||
|
||||
```bash
|
||||
# 只依赖 BASICS 的未完成函数
|
||||
awk -F, '$5=="BASICS" && $9=="pending"' fortran_analysis.csv
|
||||
|
||||
# 依赖 BASICS 和 ATOMIC，但无其他依赖
|
||||
awk -F, '$5 ~ /^BASICS\|ATOMIC$/ && $9=="pending"' fortran_analysis.csv
|
||||
|
||||
# 不依赖 MODELQ 的未完成函数 (MODELQ 最复杂)
|
||||
awk -F, '$5 !~ /MODELQ/ && $9=="pending"' fortran_analysis.csv
|
||||
|
||||
# 列出所有不同的 COMMON 依赖组合
|
||||
awk -F, '{print $5}' fortran_analysis.csv | sort | uniq -c | sort -rn
|
||||
```
|
||||
|
||||
#### 按状态筛选
|
||||
|
||||
```bash
|
||||
# 所有已完成函数
|
||||
awk -F, '$9=="done"' fortran_analysis.csv
|
||||
|
||||
# 所有进行中函数
|
||||
awk -F, '$9=="in_progress"' fortran_analysis.csv
|
||||
|
||||
# 统计各状态数量
|
||||
awk -F, '{print $9}' fortran_analysis.csv | sort | uniq -c
|
||||
```
|
||||
|
||||
#### 组合筛选
|
||||
|
||||
```bash
|
||||
# 最佳候选：无 I/O + 无调用依赖 + 纯函数或简单 COMMON
|
||||
awk -F, '$6=="" && $7=="False" && $9=="pending"' fortran_analysis.csv
|
||||
|
||||
# 次优候选：无 I/O + 有调用依赖但依赖已完成
|
||||
awk -F, '$6!="" && $7=="False" && $9=="pending"' fortran_analysis.csv
|
||||
|
||||
# 查看特定函数的依赖信息
|
||||
awk -F, '$2=="TARGET"' fortran_analysis.csv
|
||||
```
|
||||
|
||||
#### 按代码大小排序
|
||||
|
||||
```bash
|
||||
# 按行数排序（选小的先做）
|
||||
cd tlusty/extracted
|
||||
wc -l *.f | sort -n | head -30
|
||||
|
||||
# 查看小文件 + 纯函数
|
||||
for f in $(ls *.f); do
|
||||
lines=$(wc -l < "$f")
|
||||
name=$(basename "$f" .f)
|
||||
if grep -q "True.*pending" ../../fortran_analysis.csv && [ $lines -lt 100 ]; then
|
||||
echo "$lines $name"
|
||||
fi
|
||||
done | sort -n
|
||||
```
|
||||
|
||||
#### 快速查看
|
||||
|
||||
```bash
|
||||
# 查看重构进度摘要
|
||||
echo "已完成: $(awk -F, '$9=="done"' fortran_analysis.csv | wc -l)"
|
||||
echo "待处理: $(awk -F, '$9=="pending"' fortran_analysis.csv | wc -l)"
|
||||
echo "纯函数待处理: $(awk -F, '$4=="True" && $9=="pending"' fortran_analysis.csv | wc -l)"
|
||||
echo "无IO待处理: $(awk -F, '$7=="False" && $9=="pending"' fortran_analysis.csv | wc -l)"
|
||||
```
|
||||
|
||||
## 2. 重构流程
|
||||
|
||||
### Step 1: 分析 Fortran 源码
|
||||
|
||||
```bash
|
||||
# 查看源码
|
||||
cat tlusty/extracted/TARGET.f
|
||||
```
|
||||
|
||||
检查：
|
||||
- [ ] INCLUDE 文件列表
|
||||
- [ ] COMMON 块
|
||||
- [ ] 调用的其他函数
|
||||
- [ ] 是否有 I/O
|
||||
|
||||
### Step 2: 创建 Rust 模块
|
||||
|
||||
```bash
|
||||
# 创建文件
|
||||
touch src/math/TARGET.rs
|
||||
```
|
||||
|
||||
### Step 3: 实现函数
|
||||
|
||||
遵循命名规范：
|
||||
- Fortran `FUNCTION` → Rust `pub fn`
|
||||
- Fortran `SUBROUTINE` → Rust `pub fn` (返回值用参数或元组)
|
||||
- COMMON 块 → 结构体参数
|
||||
|
||||
### Step 4: 添加到 mod.rs
|
||||
|
||||
```rust
|
||||
// src/math/mod.rs
|
||||
mod target;
|
||||
pub use target::target;
|
||||
```
|
||||
|
||||
### Step 5: 编写测试
|
||||
|
||||
```rust
|
||||
#[cfg(test)]
|
||||
mod tests {
|
||||
use super::*;
|
||||
use approx::assert_relative_eq;
|
||||
|
||||
#[test]
|
||||
fn test_target_basic() {
|
||||
// 基本测试
|
||||
}
|
||||
}
|
||||
```
|
||||
|
||||
### Step 6: 运行测试
|
||||
|
||||
```bash
|
||||
# 单个模块测试 (不要 cargo test 全量!)
|
||||
cargo test target
|
||||
```
|
||||
|
||||
### Step 7: 更新追踪表
|
||||
|
||||
```bash
|
||||
# 如果是一对一映射，脚本自动识别
|
||||
python3 scripts/analyze_fortran.py > fortran_analysis.csv
|
||||
python3 scripts/generate_tracking.py > FORTRAN_TRACKING.md
|
||||
|
||||
# 如果是一对多映射，先更新 SPECIAL_MAPPINGS
|
||||
```
|
||||
|
||||
## 3. SPECIAL_MAPPINGS 维护
|
||||
|
||||
### 何时需要更新
|
||||
|
||||
当一个 Rust 文件实现多个 Fortran 函数时，需要添加映射。
|
||||
|
||||
### 位置
|
||||
|
||||
`scripts/analyze_fortran.py` 第 72 行
|
||||
|
||||
### 格式
|
||||
|
||||
```python
|
||||
SPECIAL_MAPPINGS = {
|
||||
# Rust 文件名 -> [Fortran 函数名列表]
|
||||
'gfree': ['gfree0', 'gfreed', 'gfree1'],
|
||||
'interpolate': ['yint', 'lagran'],
|
||||
'sgmer': ['sgmer0', 'sgmer1', 'sgmerd'],
|
||||
'ctdata': ['hction', 'hctrecom'],
|
||||
'cross': ['cross', 'crossd'],
|
||||
'expint': ['eint', 'expinx'],
|
||||
'erfcx': ['erfcx', 'erfcin'],
|
||||
# 新增映射...
|
||||
}
|
||||
```
|
||||
|
||||
### 添加新映射后执行
|
||||
|
||||
```bash
|
||||
python3 scripts/analyze_fortran.py > fortran_analysis.csv
|
||||
python3 scripts/generate_tracking.py > FORTRAN_TRACKING.md
|
||||
```
|
||||
|
||||
## 4. 状态更新流程
|
||||
|
||||
### 手动更新状态
|
||||
|
||||
如需手动标记状态，编辑 `fortran_analysis.csv`：
|
||||
|
||||
```csv
|
||||
# status 列: done, pending, in_progress, skip
|
||||
filename.f,UNIT,SUBROUTINE,False,"...",...,False,src/math/xxx.rs,done
|
||||
```
|
||||
|
||||
然后重新生成 Markdown：
|
||||
|
||||
```bash
|
||||
python3 scripts/generate_tracking.py > FORTRAN_TRACKING.md
|
||||
```
|
||||
|
||||
## 5. 代码规范
|
||||
|
||||
### 文件头注释
|
||||
|
||||
```rust
|
||||
//! 模块简要说明。
|
||||
//!
|
||||
//! 重构自 TLUSTY `filename.f`
|
||||
```
|
||||
|
||||
### 函数注释
|
||||
|
||||
```rust
|
||||
/// 函数功能说明。
|
||||
///
|
||||
/// # 参数
|
||||
///
|
||||
/// * `x` - 参数说明
|
||||
///
|
||||
/// # 返回值
|
||||
///
|
||||
/// 返回值说明
|
||||
///
|
||||
/// # 示例
|
||||
///
|
||||
/// ```
|
||||
/// use tlusty_rust::math::func;
|
||||
/// assert!((func(1.0) - 2.0).abs() < 1e-10);
|
||||
/// ```
|
||||
pub fn func(x: f64) -> f64 { ... }
|
||||
```
|
||||
|
||||
### 精度要求
|
||||
|
||||
| 函数类型 | 容差 |
|
||||
|---------|------|
|
||||
| 简单数学运算 | 1e-10 |
|
||||
| 多项式近似 | 1e-7 |
|
||||
| f32 数组 | 1e-24 |
|
||||
|
||||
### 常见陷阱
|
||||
|
||||
| 问题 | 解决方案 |
|
||||
|------|----------|
|
||||
| Fortran 1-indexed | `arr(i)` → `arr[i-1]` |
|
||||
| `-LOG(X)` | 是 `-ln(X)` 不是 `ln(-X)` |
|
||||
| powi 类型歧义 | 用显式乘法 `(a)*(a)` |
|
||||
| 矩阵列优先 | `A(j,i)` → `a[(i-1)*N + (j-1)]` |
|
||||
|
||||
## 6. 快速命令参考
|
||||
|
||||
```bash
|
||||
# 查看重构进度
|
||||
cat FORTRAN_TRACKING.md | head -20
|
||||
|
||||
# 进度统计
|
||||
echo "已完成: $(awk -F, '$9=="done"' fortran_analysis.csv | wc -l)"
|
||||
echo "待处理: $(awk -F, '$9=="pending"' fortran_analysis.csv | wc -l)"
|
||||
|
||||
# 推荐方式：查看优先级列表（按未实现依赖排序）
|
||||
python3 scripts/analyze_fortran.py --priority | head -30
|
||||
|
||||
# 查看函数依赖树（含未实现依赖数）
|
||||
python3 scripts/analyze_fortran.py --tree FUNCTION_NAME
|
||||
|
||||
# 找最佳候选：无IO + 无调用依赖
|
||||
awk -F, '$6=="" && $7=="False" && $9=="pending"' fortran_analysis.csv | head -5
|
||||
|
||||
# 找纯函数
|
||||
grep "True.*pending" fortran_analysis.csv | head -5
|
||||
|
||||
# 找无IO的函数
|
||||
awk -F, '$7=="False" && $9=="pending"' fortran_analysis.csv | head -5
|
||||
|
||||
# 测试单个模块
|
||||
cargo test module_name
|
||||
|
||||
# 更新追踪表
|
||||
python3 scripts/analyze_fortran.py > fortran_analysis.csv && \
|
||||
python3 scripts/generate_tracking.py > FORTRAN_TRACKING.md
|
||||
|
||||
# 编译检查
|
||||
cargo build 2>&1 | grep error
|
||||
```
|
||||
@ -1,305 +0,0 @@
|
||||
fortran_file,unit_name,unit_type,is_pure,common_deps,call_deps,has_io,rust_module,status
|
||||
_unnamed_block_data_.f,C,BLOCK DATA,False,"BASICS|ATOMIC","",False,,pending
|
||||
accel2.f,ACCEL2,SUBROUTINE,False,"BASICS|ITERAT|MODELQ","",True,,pending
|
||||
accelp.f,ACCELP,SUBROUTINE,False,"BASICS|MODELQ|ITERAT|POPULS","",True,,pending
|
||||
alifr1.f,ALIFR1,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ALIPAR","ALIFR3",False,,pending
|
||||
alifr3.f,ALIFR3,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ALIPAR","",False,src/math/alifr3.rs,done
|
||||
alifr6.f,ALIFR6,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ALIPAR","",False,src/math/alifr6.rs,done
|
||||
alifrk.f,ALIFRK,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ALIPAR","",False,src/math/alifrk.rs,done
|
||||
alisk1.f,ALISK1,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR|ALIPAR|ARRAY1|ITERAT","RTEFR1|ALIFRK|ROSSTD|OPACF1",True,,pending
|
||||
alisk2.f,ALISK2,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR|ALIPAR|ARRAY1|ITERAT","RTEFR1|ALIFRK|ROSSTD|OPACF1",True,,pending
|
||||
alist1.f,ALIST1,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR|ALIPAR|ITERAT","RTEFR1|ALIFR1|OPACFD|ROSSTD",True,,pending
|
||||
alist2.f,ALIST2,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR|ALIPAR|ARRAY1|ITERAT","QUIT|OPACFD|RTEFR1|ALIFR1|ROSSTD",True,,pending
|
||||
allard.f,ALLARD,SUBROUTINE,False,"BASICS|callardb|callardc|callarda|quasun|callardg|calphatd","ALLARDT",True,,pending
|
||||
allardt.f,ALLARDT,SUBROUTINE,False,"BASICS|calphatd","",False,src/math/allardt.rs,done
|
||||
angset.f,ANGSET,SUBROUTINE,True,"BASICS","GAULEG",False,src/math/angset.rs,done
|
||||
betah.f,BETAH,FUNCTION,True,"","",False,src/math/betah.rs,done
|
||||
bhe.f,BHE,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ARRAY1|ALIPAR","",False,src/math/bhe.rs,done
|
||||
bhed.f,BHED,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ARRAY1|ALIPAR|CMATZD|SURFEX","",False,src/math/bhe.rs,done
|
||||
bhez.f,BHEZ,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ARRAY1|ALIPAR|SURFEX","",False,src/math/bhe.rs,done
|
||||
bkhsgo.f,BKHSGO,SUBROUTINE,True,"","",False,src/math/bkhsgo.rs,done
|
||||
bpop.f,BPOP,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ARRAY1|ALIPAR|ODFPAR|ITERAT","LEVGRP|BPOPE|RATMAT|BPOPT|MATINV|BPOPC|LEVSOL|BPOPF",False,,pending
|
||||
bpopc.f,BPOPC,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ARRAY1|ALIPAR|ODFPAR|ADCHAR","STATE",False,,pending
|
||||
bpope.f,BPOPE,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR|ALIPAR|ITERAT|ARRAY1","DWNFR1|SGMER1",False,,pending
|
||||
bpopf.f,BPOPF,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ARRAY1|ALIPAR|ODFPAR","",False,src/math/bpopf.rs,done
|
||||
bpopt.f,BPOPT,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ARRAY1|ALIPAR|ODFPAR","COLIS",False,,pending
|
||||
bre.f,BRE,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ARRAY1|ALIPAR","COMPT0",False,,pending
|
||||
brez.f,BREZ,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ARRAY1|ALIPAR","COMPT0",False,,pending
|
||||
brte.f,BRTE,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ALIPAR|ARRAY1","COMPT0",False,,pending
|
||||
brtez.f,BRTEZ,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ALIPAR|ARRAY1","COMPT0",False,,pending
|
||||
butler.f,BUTLER,SUBROUTINE,True,"","",False,src/math/butler.rs,done
|
||||
carbon.f,CARBON,SUBROUTINE,True,"","",False,src/math/carbon.rs,done
|
||||
ceh12.f,CEH12,FUNCTION,True,"","",False,src/math/ceh12.rs,done
|
||||
change.f,CHANGE,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","READBF|STEQEQ",True,,pending
|
||||
chckse.f,CHCKSE,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","SABOLF",True,,pending
|
||||
chctab.f,CHCTAB,SUBROUTINE,False,"BASICS|MODELQ|abntab","",True,,pending
|
||||
cheav.f,CHEAV,FUNCTION,False,"BASICS|ATOMIC","QUIT",True,,pending
|
||||
cheavj.f,CHEAVJ,FUNCTION,False,"BASICS|ATOMIC","QUIT",True,,pending
|
||||
cia_h2h.f,CIA_H2H,SUBROUTINE,False,"","LOCATE|IF",True,,pending
|
||||
cia_h2h2.f,CIA_H2H2,SUBROUTINE,False,"","LOCATE|IF",True,,pending
|
||||
cia_h2he.f,CIA_H2HE,SUBROUTINE,False,"","LOCATE|IF",True,,pending
|
||||
cia_hhe.f,CIA_HHE,SUBROUTINE,False,"","LOCATE|IF",True,,pending
|
||||
cion.f,CION,FUNCTION,True,"","",False,src/math/cion.rs,done
|
||||
ckoest.f,CKOEST,FUNCTION,True,"BASICS","",False,src/math/ckoest.rs,done
|
||||
colh.f,COLH,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","IRC|CSPEC|BUTLER",False,,pending
|
||||
colhe.f,COLHE,SUBROUTINE,False,"BASICS|ATOMIC","IRC|COLLHE|CSPEC",False,,pending
|
||||
colis.f,COLIS,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR|CTRTEMP","IRC|COLHE|CSPEC|COLH",False,,pending
|
||||
collhe.f,COLLHE,SUBROUTINE,True,"","",False,src/math/collhe.rs,done
|
||||
column.f,COLUMN,SUBROUTINE,False,"BASICS|MODELQ|relcor","",True,,pending
|
||||
compt0.f,COMPT0,SUBROUTINE,False,"BASICS|MODELQ|ALIPAR|ITERAT|auxcbc","",False,src/math/compt0.rs,done
|
||||
comset.f,COMSET,SUBROUTINE,False,"BASICS|MODELQ|auxcbc|comgfs","",False,src/math/comset.rs,done
|
||||
concor.f,CONCOR,SUBROUTINE,False,"BASICS|MODELQ","CONOUT",True,,pending
|
||||
conout.f,CONOUT,SUBROUTINE,False,"BASICS|MODELQ|ALIPAR|CUBCON","MEANOPT|MEANOP|CONVEC|OPACF0",True,,pending
|
||||
conref.f,CONREF,SUBROUTINE,False,"BASICS|MODELQ|ARRAY1|imucnn|CUBCON","WNSTOR|ELDENS|CONVC1|STEQEQ|CONOUT|CONVEC",True,,pending
|
||||
contmd.f,CONTMD,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ALIPAR|PRSAUX|CUBCON","MEANOP|CUBIC|OPACF0|STEQEQ|WNSTOR|CONOUT|CONVEC",True,,pending
|
||||
contmp.f,CONTMP,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ALIPAR|ichndm|CUBCON","MEANOPT|MEANOP|CUBIC|OPACF0|STEQEQ|ELDENS|WNSTOR|CONOUT|CONVEC",True,,pending
|
||||
convc1.f,CONVC1,SUBROUTINE,False,"BASICS|CUBCON","TRMDER|TRMDRT",False,,pending
|
||||
convec.f,CONVEC,SUBROUTINE,False,"BASICS|CUBCON","TRMDER|TRMDRT",False,,pending
|
||||
coolrt.f,COOLRT,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR|ALIPAR|ARRAY1|ITERAT|COOLCO","RTEFR1|OPACFA",True,,pending
|
||||
corrwm.f,CORRWM,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","QUIT",True,,pending
|
||||
cross.f,CROSS,FUNCTION,False,"BASICS|ATOMIC|MODELQ","",False,src/math/cross.rs,done
|
||||
crossd.f,CROSSD,FUNCTION,False,"BASICS|ATOMIC|MODELQ","",False,src/math/cross.rs,done
|
||||
cspec.f,CSPEC,SUBROUTINE,False,"BASICS|ATOMIC","QUIT",False,,pending
|
||||
ctdata.f,CTDATA,BLOCK DATA,False,"CTIon|CTRecomb","",False,src/math/ctdata.rs,done
|
||||
cubic.f,CUBIC,SUBROUTINE,False,"BASICS|CUBCON","",False,src/math/cubic.rs,done
|
||||
dielrc.f,DIELRC,SUBROUTINE,True,"","",False,src/math/dielrc.rs,done
|
||||
dietot.f,DIETOT,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","DIELRC",True,,pending
|
||||
divstr.f,DIVSTR,SUBROUTINE,False,"BASICS|MODELQ","",False,src/math/divstr.rs,done
|
||||
dmder.f,DMDER,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|DEPTDR","",False,src/math/dmder.rs,done
|
||||
dmeval.f,DMEVAL,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ITERAT|ARRAY1","",True,,pending
|
||||
dopgam.f,DOPGAM,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","GAMSP",False,src/math/dopgam.rs,done
|
||||
dwnfr.f,DWNFR,SUBROUTINE,False,"BASICS|MODELQ","",False,src/math/dwnfr.rs,done
|
||||
dwnfr0.f,DWNFR0,SUBROUTINE,False,"BASICS|MODELQ","",False,src/math/dwnfr0.rs,done
|
||||
dwnfr1.f,DWNFR1,SUBROUTINE,False,"BASICS|MODELQ","",False,src/math/dwnfr1.rs,done
|
||||
eint.f,EINT,SUBROUTINE,True,"","EXPINX",False,src/math/expint.rs,done
|
||||
elcor.f,ELCOR,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ADCHAR","WNSTOR|STEQEQ|STATE|MOLEQ",True,,pending
|
||||
eldenc.f,ELDENC,SUBROUTINE,False,"BASICS|MODELQ|ATOMIC|eospar|hmolab|eletab","RHONEN|STATE|MOLEQ",True,,pending
|
||||
eldens.f,ELDENS,SUBROUTINE,False,"BASICS|MODELQ|ATOMIC|eospar|terden","ENTENE|LINEQS|MPARTF|STATE|MOLEQ",True,,pending
|
||||
emat.f,EMAT,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ARRAY1|ALIPAR","",False,src/math/emat.rs,done
|
||||
entene.f,ENTENE,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","MPARTF",False,,pending
|
||||
erfcin.f,ERFCIN,FUNCTION,True,"","",False,src/math/erfcx.rs,done
|
||||
erfcx.f,ERFCX,FUNCTION,True,"","",False,src/math/erfcx.rs,done
|
||||
expint.f,EXPINT,FUNCTION,True,"","",False,src/math/expint.rs,done
|
||||
expinx.f,EXPINX,SUBROUTINE,True,"","",False,src/math/expint.rs,done
|
||||
expo.f,EXPO,FUNCTION,True,"","",False,src/math/expo.rs,done
|
||||
ffcros.f,FFCROS,FUNCTION,True,"","",False,src/math/ffcros.rs,done
|
||||
gami.f,GAMI,FUNCTION,True,"","",False,src/math/gami.rs,done
|
||||
gamsp.f,GAMSP,SUBROUTINE,True,"BASICS","",False,src/math/gamsp.rs,done
|
||||
gauleg.f,GAULEG,SUBROUTINE,True,"","",False,src/math/gauleg.rs,done
|
||||
gaunt.f,GAUNT,FUNCTION,True,"","",False,src/math/gaunt.rs,done
|
||||
getlal.f,GETLAL,SUBROUTINE,False,"BASICS|callardb|callardc|callarda|quasun|callardg|calphatd","",True,,pending
|
||||
getwrd.f,GETWRD,SUBROUTINE,True,"","",False,src/math/getwrd.rs,done
|
||||
gfree0.f,GFREE0,SUBROUTINE,False,"BASICS|MODELQ","",False,src/math/gfree.rs,done
|
||||
gfree1.f,GFREE1,FUNCTION,False,"BASICS|MODELQ","",False,src/math/gfree.rs,done
|
||||
gfreed.f,GFREED,SUBROUTINE,False,"BASICS|MODELQ","",False,src/math/gfree.rs,done
|
||||
ghydop.f,GHYDOP,SUBROUTINE,False,"BASICS|MODELQ|ATOMIC|intcfg","",False,src/math/ghydop.rs,done
|
||||
gntk.f,GNTK,FUNCTION,True,"","",False,src/math/gntk.rs,done
|
||||
gomini.f,GOMINI,SUBROUTINE,False,"BASICS|MODELQ|intcfg","",True,,pending
|
||||
grcor.f,GRCOR,SUBROUTINE,True,"","",False,src/math/grcor.rs,done
|
||||
greyd.f,GREYD,SUBROUTINE,False,"BASICS|MODELQ|ATOMIC|ALIPAR","WNSTOR|MEANOP|OPACF0|STEQEQ|RHONEN",True,,pending
|
||||
gridp.f,GRIDP,SUBROUTINE,True,"BASICS","",False,src/math/gridp.rs,done
|
||||
h2minus.f,H2MINUS,SUBROUTINE,False,"BASICS","LOCATE",True,,pending
|
||||
hction.f,HCTION,FUNCTION,False,"CTIon|CTRTEMP","",False,src/math/ctdata.rs,done
|
||||
hctrecom.f,HCTRECOM,FUNCTION,False,"CTRTEMP|CTRecomb","",False,src/math/ctdata.rs,done
|
||||
hedif.f,HEDIF,SUBROUTINE,False,"BASICS|MODELQ|ATOMIC|hediff","",True,,pending
|
||||
hephot.f,HEPHOT,FUNCTION,True,"","",False,src/math/hephot.rs,done
|
||||
hesol6.f,HESOL6,SUBROUTINE,False,"BASICS|MODELQ|PRSAUX","MATINV",False,,pending
|
||||
hesolv.f,HESOLV,SUBROUTINE,False,"BASICS|MODELQ|PRSAUX","WNSTOR|STEQEQ|RHONEN|MATINV",True,,pending
|
||||
hidalg.f,HIDALG,FUNCTION,True,"","",False,src/math/hidalg.rs,done
|
||||
ijali2.f,IJALI2,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR","QUIT",True,,pending
|
||||
ijalis.f,IJALIS,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","",True,,pending
|
||||
incldy.f,INCLDY,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","QUIT|RATMAT|SABOLF|WNSTOR|LEVSOL",True,,pending
|
||||
indexx.f,INDEXX,SUBROUTINE,True,"","",False,src/math/indexx.rs,done
|
||||
inicom.f,INICOM,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|comgfs","",False,src/math/inicom.rs,done
|
||||
inifrc.f,INIFRC,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR|ijflar","INDEXX",True,,pending
|
||||
inifrs.f,INIFRS,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR","QUIT|INDEXX",True,,pending
|
||||
inifrt.f,INIFRT,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ijflar","INDEXX",True,,pending
|
||||
inilam.f,INILAM,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ITERAT|ALIPAR","WNSTOR|RTEFR1|RATES1|ELCOR|COLIS|SABOLF|STEQEQ|OPAINI|OPACF1",False,,pending
|
||||
initia.f,INITIA,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ITERAT|ODFPAR|ALIPAR|freqcl|INUNIT|STRPAR","OPADD0|QUIT|ODFHYS|LINSPL|NSTPAR|INIFRC|READBF|RDATA|STATE|DOPGAM|LINSET|RDATAX|INTERP",True,,pending
|
||||
inkul.f,INKUL,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR|COLKUR|LINED","",True,,pending
|
||||
inpdis.f,INPDIS,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ITERAT|ODFPAR|ALIPAR|relcor","GRCOR",True,,pending
|
||||
inpmod.f,INPMOD,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|eospar","QUIT|RATMAT|KURUCZ|INCLDY|MOLEQ|SABOLF|WNSTOR|LEVSOL",True,,pending
|
||||
interp.f,INTERP,SUBROUTINE,True,"BASICS","",False,src/math/interp.rs,done
|
||||
inthyd.f,INTHYD,SUBROUTINE,False,"BASICS|MODELQ","DIVSTR",False,src/math/inthyd.rs,done
|
||||
intlem.f,INTLEM,SUBROUTINE,False,"BASICS|MODELQ","INTHYD",False,src/math/intlem.rs,done
|
||||
intxen.f,INTXEN,SUBROUTINE,False,"BASICS|MODELQ","",False,src/math/intxen.rs,done
|
||||
irc.f,IRC,SUBROUTINE,True,"","EXPINX|SZIRC",False,src/math/irc.rs,done
|
||||
iroset.f,IROSET,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR|LINED","QUIT|LEVCD|INKUL",True,,pending
|
||||
kurucz.f,KURUCZ,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|temlim","QUIT|RATMAT|MOLEQ|SABOLF|WNSTOR|LEVSOL|RHONEN",True,,pending
|
||||
lagran.f,LAGRAN,SUBROUTINE,True,"","",False,src/math/interpolate.rs,done
|
||||
laguer.f,LAGUER,SUBROUTINE,False,"","",True,src/math/laguer.rs,done
|
||||
lemini.f,LEMINI,SUBROUTINE,False,"BASICS|MODELQ","",True,,pending
|
||||
levcd.f,LEVCD,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR|COLKUR","QUIT|INDEXX",True,,pending
|
||||
levgrp.f,LEVGRP,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ITERAT","",False,src/math/levgrp.rs,done
|
||||
levset.f,LEVSET,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","QUIT",False,,pending
|
||||
levsol.f,LEVSOL,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ITERAT","LINEQS",False,src/math/levsol.rs,done
|
||||
lineqs.f,LINEQS,SUBROUTINE,True,"BASICS","",False,src/math/lineqs.rs,done
|
||||
linpro.f,LINPRO,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR|quasun","DIVSTR|STARK0|DOPGAM|INTLEM|INTXEN",False,,pending
|
||||
linsel.f,LINSEL,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR|ALIPAR","RTEFR1|QUIT|OPAINI|OPACF1",True,,pending
|
||||
linset.f,LINSET,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","DIVSTR|QUIT|IJALIS|STARK0",True,,pending
|
||||
linspl.f,LINSPL,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","",False,src/math/linspl.rs,done
|
||||
locate.f,LOCATE,SUBROUTINE,True,"","",False,src/math/locate.rs,done
|
||||
ltegr.f,LTEGR,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","QUIT|CONOUT|ROSSOP|WNSTOR|STEQEQ|INTERP",True,,pending
|
||||
ltegrd.f,LTEGRD,SUBROUTINE,False,"BASICS|MODELQ|PRSAUX|CUBCON|TOTJHK|FACTRS|FLXAUX","QUIT|TEMPER|CONOUT|ELDENS|WNSTOR|STEQEQ|INTERP|ZMRHO",True,,pending
|
||||
lucy.f,LUCY,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR|ITERAT|ALIPAR|ARRAY1","OPACFL|RTEFR1|ELCOR|COLIS|SABOLF|WNSTOR|STEQEQ|OPAINI",True,,pending
|
||||
lymlin.f,LYMLIN,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","DIVSTR|STARK0",True,,pending
|
||||
matcon.f,MATCON,SUBROUTINE,False,"BASICS|MODELQ|ARRAY1|CUBCON","CONVEC",False,,pending
|
||||
matgen.f,MATGEN,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ARRAY1|ALIPAR","BHED|MATCON|BREZ|BRE|BRTEZ|BHE|BRTE|SABOLF|BHEZ|EMAT|BPOP",False,,pending
|
||||
matinv.f,MATINV,SUBROUTINE,True,"BASICS","",False,src/math/matinv.rs,done
|
||||
meanop.f,MEANOP,SUBROUTINE,False,"BASICS|MODELQ|ATOMIC","",False,src/math/meanop.rs,done
|
||||
meanopt.f,MEANOPT,SUBROUTINE,False,"BASICS|MODELQ","OPCTAB",False,,pending
|
||||
minv3.f,MINV3,SUBROUTINE,True,"","",False,src/math/minv3.rs,done
|
||||
moleq.f,MOLEQ,SUBROUTINE,False,"BASICS|MODELQ|ATOMIC|adchar|eospar|hmolab|terden|ioniz2|COMFH1|moldat|entrop","MPARTF|RUSSEL",True,,pending
|
||||
mpartf.f,MPARTF,SUBROUTINE,False,"moldat","",True,,pending
|
||||
newdm.f,NEWDM,SUBROUTINE,False,"BASICS|MODELQ|FACTRS|PRSAUX|FLXAUX","INTERP|TEMPER",True,,pending
|
||||
newdmt.f,NEWDMT,SUBROUTINE,False,"BASICS|MODELQ|FACTRS|PRSAUX|FLXAUX","INTERP|GRIDP|TEMPER",True,,pending
|
||||
newpop.f,NEWPOP,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ITERAT","",True,,pending
|
||||
nstout.f,NSTOUT,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ITERAT|ODFPAR|ALIPAR","QUIT",True,,pending
|
||||
nstpar.f,NSTPAR,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ITERAT|ODFPAR|ALIPAR|deridt|irwint|icnrsp|imucnn|ichndm|derdif|hediff|freqcl|temlim|moldat|ifpzpa|quasun|ipricr|adiaba|FLXAUX","QUIT|GETWRD",True,,pending
|
||||
odf1.f,ODF1,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR","DIVSTR|ODFHST|DWNFR",True,,pending
|
||||
odffr.f,ODFFR,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR","QUIT",False,,pending
|
||||
odfhst.f,ODFHST,SUBROUTINE,False,"BASICS|MODELQ|ODFPAR","",False,src/math/odfhst.rs,done
|
||||
odfhyd.f,ODFHYD,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR","DIVSTR|ODFHST|INDEXX",False,,pending
|
||||
odfhys.f,ODFHYS,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR","ODFFR|STARK0|IJALIS",False,,pending
|
||||
odfmer.f,ODFMER,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR","ODFHYD",False,,pending
|
||||
odfset.f,ODFSET,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR|STFCR","QUIT|IJALIS",True,,pending
|
||||
opacf0.f,OPACF0,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR|ALIPAR|hmolab","OPACT1|OPADD|SGMER1|GFREE0|DWNFR0|DWNFR1|SABOLF|WNSTOR|LINPRO",False,,pending
|
||||
opacf1.f,OPACF1,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR|ALIPAR|hmolab|ipricr","OPACT1|OPADD|QUASIM|LYMLIN|GHYDOP|DWNFR1|PRD|SGMER1",True,,pending
|
||||
opacfa.f,OPACFA,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR|ALIPAR|COOLCO","DWNFR1|OPADD|PRD|SGMER1",False,,pending
|
||||
opacfd.f,OPACFD,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR|ALIPAR|ARRAY1|ITERAT|dsctva|rhoder|hmolab","OPADD|OPACTD|QUASIM|LYMLIN|OPCTAB|DWNFR1|PRD|SGMER1|GFREED",True,,pending
|
||||
opacfl.f,OPACFL,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR|ALIPAR","DWNFR1|OPADD|SGMER1",False,,pending
|
||||
opact1.f,OPACT1,SUBROUTINE,False,"BASICS|MODELQ|ALIPAR|hmolab","OPCTAB",False,,pending
|
||||
opactd.f,OPACTD,SUBROUTINE,False,"BASICS|MODELQ|ALIPAR|ARRAY1|ITERAT|dsctva|rhoder|hmolab","OPCTAB",False,,pending
|
||||
opactr.f,OPACTR,SUBROUTINE,False,"BASICS|MODELQ|ALIPAR|ATOMIC|grdpra|dsctva|hmolab","STEQEQ|PGSET|ELDENS|SABOLF|RATMAL|WNSTOR|LEVSOL|OPAINI|OPACF1",False,,pending
|
||||
opadd.f,OPADD,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|eospar","H2MINUS|CIA_H2H|CIA_H2HE|CIA_H2H2|CIA_HHE",False,,pending
|
||||
opadd0.f,OPADD0,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","QUIT",False,,pending
|
||||
opahst.f,OPAHST,SUBROUTINE,False,"BASICS|ODFPAR","STARK0",True,,pending
|
||||
opaini.f,OPAINI,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR|ALIPAR","LEVGRP|DWNFR0|REFLEV|SABOLF|WNSTOR|LINPRO",False,,pending
|
||||
opctab.f,OPCTAB,SUBROUTINE,False,"BASICS|MODELQ","RAYLEIGH",False,,pending
|
||||
opdata.f,OPDATA,SUBROUTINE,False,"TOPB","",True,,pending
|
||||
opfrac.f,OPFRAC,SUBROUTINE,False,"pfoptb","",True,,pending
|
||||
osccor.f,OSCCOR,SUBROUTINE,False,"BASICS|MODELQ|ITERAT","",True,,pending
|
||||
outpri.f,OUTPRI,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ARRAY1|grdpra","SABOLF|RATMAL|WNSTOR|LEVSOL|OPACF1",True,,pending
|
||||
output.f,OUTPUT,SUBROUTINE,False,"BASICS|MODELQ","",True,,pending
|
||||
partf.f,PARTF,SUBROUTINE,False,"BASICS|PFSTDS|irwint","OPFRAC|MPARTF|PFNI|PFFE|PFCNO|PFHEAV|PFSPEC",False,,pending
|
||||
pfcno.f,PFCNO,SUBROUTINE,True,"BASICS","",False,src/math/pfcno.rs,done
|
||||
pffe.f,PFFE,SUBROUTINE,True,"","",False,src/math/pffe.rs,done
|
||||
pfheav.f,PFHEAV,SUBROUTINE,False,"","",True,,pending
|
||||
pfni.f,PFNI,SUBROUTINE,True,"","",False,src/math/pfni.rs,done
|
||||
pfspec.f,PFSPEC,SUBROUTINE,True,"","",False,src/math/pfspec.rs,done
|
||||
pgset.f,PGSET,SUBROUTINE,False,"BASICS|ITERAT|MODELQ|grdpra|rybpgs","TRIDAG",True,,pending
|
||||
prchan.f,PRCHAN,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ITERAT","",True,,pending
|
||||
prd.f,PRD,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ITERAT","DOPGAM",False,,pending
|
||||
prdini.f,PRDINI,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","",False,src/math/prdini.rs,done
|
||||
princ.f,PRINC,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ALIPAR","DWNFR|LINPRO|SABOLF|OPACF1",True,,pending
|
||||
prnt.f,PRNT,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","SABOLF",True,,pending
|
||||
profil.f,PROFIL,FUNCTION,False,"BASICS|ATOMIC|MODELQ|quasun","DIVSTR|STARK0",False,src/math/profil.rs,done
|
||||
profsp.f,PROFSP,FUNCTION,False,"BASICS|ATOMIC|MODELQ","SABOLF",False,,pending
|
||||
prsent.f,PRSENT,SUBROUTINE,False,"tdedge|TABLTD|tdflag|THERM","",True,,pending
|
||||
psolve.f,PSOLVE,SUBROUTINE,False,"BASICS|MODELQ","",False,src/math/psolve.rs,done
|
||||
pzert.f,PZERT,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","",False,src/math/pzert.rs,done
|
||||
pzeval.f,PZEVAL,SUBROUTINE,False,"BASICS|MODELQ|ALIPAR|icnrsp","CONOUT",True,,pending
|
||||
pzevld.f,PZEVLD,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ALIPAR|ARRAY1|grdpra|DEPTDR|ifpzpa|PRSAUX","",False,src/math/pzevld.rs,done
|
||||
quartc.f,QUARTC,SUBROUTINE,False,"","",True,src/math/quartc.rs,done
|
||||
quasim.f,QUASIM,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|quasun","ALLARD",False,,pending
|
||||
quit.f,QUIT,SUBROUTINE,False,"","",True,src/math/quit.rs,done
|
||||
radpre.f,RADPRE,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR|ALIPAR","RTEFR1|INDEXX|QUIT|OPACF1",True,,pending
|
||||
radtot.f,RADTOT,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR|ALIPAR|ITERAT|TOTJHK|SURFEX|OPTDPT","RTEFR1|OPAINI|OPACF1",False,,pending
|
||||
raph.f,RAPH,FUNCTION,True,"","",False,src/math/raph.rs,done
|
||||
rates1.f,RATES1,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR|ALIPAR|ITERAT","RTEFR1|ROSSTD|OPACF1",False,,pending
|
||||
ratmal.f,RATMAL,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","",False,src/math/ratmal.rs,done
|
||||
ratmat.f,RATMAT,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","REFLEV",False,,pending
|
||||
ratsp1.f,RATSP1,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR|ALIPAR|ARRAY1|ITERAT","RTEFR1|ROSSTD|OPACF1",True,,pending
|
||||
rayini.f,RAYINI,SUBROUTINE,False,"BASICS|MODELQ|ATOMIC","RAYLEIGH",True,,pending
|
||||
rayleigh.f,RAYLEIGH,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|eospar|RAYSCT","",False,src/math/rayleigh.rs,done
|
||||
rayset.f,RAYSET,SUBROUTINE,False,"BASICS|MODELQ","",False,src/math/rayset.rs,done
|
||||
rdata.f,RDATA,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ITERAT|ODFPAR|ALIPAR|INUNIT|STRPAR|imodlc","QUIT|DOPGAM|LINSET|RDATAX",True,,pending
|
||||
rdatax.f,RDATAX,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","BKHSGO",True,,pending
|
||||
readbf.f,READBF,SUBROUTINE,False,"BASICS","",True,,pending
|
||||
rechck.f,RECHCK,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","RTEFR1|OPACF1",True,,pending
|
||||
reflev.f,REFLEV,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ITERAT","",False,src/math/reflev.rs,done
|
||||
reiman.f,REIMAN,FUNCTION,True,"","",False,src/math/reiman.rs,done
|
||||
resolv.f,RESOLV,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ITERAT|ALIPAR|ARRAY1|icnrsp","NEWPOP|RTEFR1|RATES1|TAUFR1|ELCOR|ROSSTD|PRD|STEQEQ|CONOUT|OPAINI|TIMING|OPACF1",True,,pending
|
||||
rhoeos.f,RHOEOS,FUNCTION,False,"BASICS|MODELQ","PRSENT",False,,pending
|
||||
rhonen.f,RHONEN,SUBROUTINE,False,"BASICS|MODELQ","ELDENS",False,,pending
|
||||
rhsgen.f,RHSGEN,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ARRAY1|ALIPAR|CUBCON","LEVGRP|RATMAT|MATINV|STATE|SABOLF|CONVEC|COMPT0",False,,pending
|
||||
rossop.f,ROSSOP,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ALIPAR","WNSTOR|MEANOPT|MEANOP|OPACF0|ELDENS|STEQEQ",False,,pending
|
||||
rosstd.f,ROSSTD,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ITERAT|ALIPAR","",True,,pending
|
||||
rte_sc.f,RTE_SC,SUBROUTINE,True,"BASICS","",False,src/math/rte_sc.rs,done
|
||||
rteang.f,RTEANG,SUBROUTINE,False,"BASICS|MODELQ|ALIPAR|SURFEX|EXTINT","GAULEG",False,,pending
|
||||
rtecf0.f,RTECF0,SUBROUTINE,False,"BASICS|MODELQ|ALIPAR|ITERAT|auxcbc|AUXRTE|OPTDPT","",False,src/math/rtecf0.rs,done
|
||||
rtecf1.f,RTECF1,SUBROUTINE,False,"BASICS|MODELQ|ALIPAR|ITERAT|SURFEX|comgfs|AUXRTE|EXTINT|OPTDPT","RTECF0|RTEFE2|RTESOL",True,,pending
|
||||
rtecmc.f,RTECMC,SUBROUTINE,False,"BASICS|MODELQ|ALIPAR|ITERAT|AUXRTE|comgfs","RTECF0|MATINV|OPACF1",False,,pending
|
||||
rtecmu.f,RTECMU,SUBROUTINE,False,"BASICS|MODELQ|ALIPAR|ITERAT|AUXRTE|OPTDPT","GAULEG|RTESOL|RTECF0|OPACF1",True,,pending
|
||||
rtecom.f,RTECOM,SUBROUTINE,False,"BASICS|MODELQ|ALIPAR|ITERAT|AUXRTE|comgfs|OPTDPT","RTECF1|RTECF0|OPACF1",False,,pending
|
||||
rtedf1.f,RTEDF1,SUBROUTINE,False,"BASICS|MODELQ|ALIPAR|OPTDPT","",False,src/math/rtedf1.rs,done
|
||||
rtedf2.f,RTEDF2,SUBROUTINE,False,"BASICS|MODELQ|ALIPAR","",False,src/math/rtedf2.rs,done
|
||||
rtefe2.f,RTEFE2,SUBROUTINE,True,"BASICS","",False,src/math/rtefe2.rs,done
|
||||
rtefr1.f,RTEFR1,SUBROUTINE,False,"BASICS|MODELQ|ALIPAR|ITERAT|OPTDPT","RTEDF2|RTESOL|MATINV|RTECF1|MINV3|RTEDF1",True,,pending
|
||||
rteint.f,RTEINT,SUBROUTINE,False,"BASICS|MODELQ|ALIPAR|ITERAT|OPTDPT","MATINV|OPACF1",True,,pending
|
||||
rtesol.f,RTESOL,SUBROUTINE,True,"BASICS","",False,src/math/rtesol.rs,done
|
||||
russel.f,RUSSEL,SUBROUTINE,False,"BASICS|MODELQ|COMFH1","MPARTF",True,,pending
|
||||
rybchn.f,RYBCHN,SUBROUTINE,False,"BASICS|ITERAT|MODELQ|ALIPAR|ARRAY1|grdpra|rybpgs","ELDENS|PGSET",True,,pending
|
||||
rybene.f,RYBENE,SUBROUTINE,False,"BASICS|MODELQ|ALIPAR|ARRAY1|deridt|RYBMTX|CUBCON","CONVEC",False,,pending
|
||||
rybheq.f,RYBHEQ,SUBROUTINE,False,"BASICS|MODELQ|grdpra|rybpgs","RTEFR1|ELCOR|PGSET|ELDENS|WNSTOR|STEQEQ|OPAINI|OPACF1",True,,pending
|
||||
rybmat.f,RYBMAT,SUBROUTINE,False,"BASICS|MODELQ|ALIPAR|ARRAY1|dsctva|RYBMTX","",False,src/math/rybmat.rs,done
|
||||
rybsol.f,RYBSOL,SUBROUTINE,False,"BASICS|MODELQ|ATOMIC|ALIPAR|ARRAY1|ITERAT|imodlc|RYBMTX","OPACTR|OPACFD|RYBMAT|RYBCHN|LINEQS|RTEFR1|ALIFR1|ROSSTD|TRIDAG|STEQEQ",True,,pending
|
||||
sabolf.f,SABOLF,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","PARTF",False,,pending
|
||||
sbfch.f,SBFCH,FUNCTION,True,"","",False,src/math/sbfch.rs,done
|
||||
sbfhe1.f,SBFHE1,FUNCTION,False,"BASICS|ATOMIC","QUIT",True,src/math/sbfhe1.rs,done
|
||||
sbfhmi.f,SBFHMI,FUNCTION,True,"","",False,src/math/sbfhmi.rs,done
|
||||
sbfhmi_old.f,SBFHMI_OLD,FUNCTION,True,"","",False,src/math/sbfhmi_old.rs,done
|
||||
sbfoh.f,SBFOH,FUNCTION,True,"","",False,src/math/sbfoh.rs,done
|
||||
setdrt.f,SETDRT,SUBROUTINE,False,"BASICS|MODELQ|RHODER","",False,src/math/setdrt.rs,done
|
||||
settrm.f,SETTRM,SUBROUTINE,False,"tdedge|TABLTD|tdflag|THERM","PRSENT",True,,pending
|
||||
sffhmi.f,SFFHMI,FUNCTION,True,"","",False,src/math/sffhmi.rs,done
|
||||
sffhmi_add.f,SFFHMI_ADD,FUNCTION,True,"","",False,src/math/sffhmi_add.rs,done
|
||||
sghe12.f,SGHE12,FUNCTION,True,"","",False,src/math/sghe12.rs,done
|
||||
sgmer0.f,SGMER0,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","",False,src/math/sgmer.rs,done
|
||||
sgmer1.f,SGMER1,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","",False,src/math/sgmer.rs,done
|
||||
sgmerd.f,SGMERD,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","",False,src/math/sgmer.rs,done
|
||||
sigave.f,SIGAVE,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR","",True,,pending
|
||||
sigk.f,SIGK,FUNCTION,False,"BASICS|ATOMIC","SPSIGK",False,,pending
|
||||
sigmar.f,SIGMAR,FUNCTION,False,"BASICS","LAGUER",True,,pending
|
||||
solve.f,SOLVE,SUBROUTINE,False,"BASICS|ITERAT|MODELQ|ARRAY1|ALIPAR|CMATZD","MATGEN|PRCHAN|MATINV|WNSTOR|RHSGEN",True,,pending
|
||||
solves.f,SOLVES,SUBROUTINE,False,"BASICS|ITERAT|MODELQ|ARRAY1|ALIPAR|CMATZD|STOMAT","MATGEN|PRCHAN|MATINV|WNSTOR|RHSGEN",True,,pending
|
||||
spsigk.f,SPSIGK,SUBROUTINE,True,"","CARBON",False,src/math/spsigk.rs,done
|
||||
srtfrq.f,SRTFRQ,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","QUIT|INDEXX",True,,pending
|
||||
stark0.f,STARK0,SUBROUTINE,True,"","",False,src/math/stark0.rs,done
|
||||
starka.f,STARKA,FUNCTION,False,"BASICS|MODELQ","",False,src/math/starka.rs,done
|
||||
start.f,START,SUBROUTINE,False,"BASICS|hediff","",True,,pending
|
||||
state.f,STATE,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|PFSTDS|terden","OPFRAC|PARTF",True,,pending
|
||||
steqeq.f,STEQEQ,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ITERAT|POPSTR|PPAPAR","LEVSOL|RATMAT|SABOLF|MOLEQ",False,,pending
|
||||
switch.f,SWITCH,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","",True,,pending
|
||||
szirc.f,SZIRC,SUBROUTINE,True,"","EINT",False,src/math/szirc.rs,done
|
||||
tabini.f,TABINI,SUBROUTINE,False,"BASICS|MODELQ|ATOMIC|intcff|abntab|eletab","",True,,pending
|
||||
tabint.f,TABINT,SUBROUTINE,False,"BASICS|MODELQ|ATOMIC|intcff","",False,src/math/tabint.rs,done
|
||||
taufr1.f,TAUFR1,SUBROUTINE,False,"BASICS|MODELQ|ALIPAR|ITERAT|OPTDPT","",False,src/math/taufr1.rs,done
|
||||
tdpini.f,TDPINI,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR|ALIPAR","GFREE0",False,src/math/tdpini.rs,done
|
||||
temcor.f,TEMCOR,SUBROUTINE,False,"BASICS|MODELQ|ARRAY1|ALIPAR|CUBCON","WNSTOR|MEANOP|OPACF0|ELDENS|STEQEQ|CONVEC",True,,pending
|
||||
temper.f,TEMPER,SUBROUTINE,False,"BASICS|MODELQ|ALIPAR|FACTRS|PRSAUX|FLXAUX","WNSTOR|MEANOPT|TLOCAL|MEANOP|OPACF0|ELDENS|STEQEQ",True,,pending
|
||||
timing.f,TIMING,SUBROUTINE,False,"","",True,,pending
|
||||
tiopf.f,TIOPF,SUBROUTINE,True,"","",False,src/math/tiopf.rs,done
|
||||
tlocal.f,TLOCAL,SUBROUTINE,False,"BASICS|MODELQ|FACTRS|FLXAUX","QUARTC",False,,pending
|
||||
tlusty.f,TLUSTY,UNKNOWN,False,"BASICS|ITERAT|ALIPAR","TIMING",True,,pending
|
||||
topbas.f,TOPBAS,FUNCTION,False,"TOPB","",True,,pending
|
||||
traini.f,TRAINI,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR","",False,src/math/traini.rs,done
|
||||
tridag.f,TRIDAG,SUBROUTINE,True,"","",False,src/math/tridag.rs,done
|
||||
trmder.f,TRMDER,SUBROUTINE,False,"BASICS|terden|adiaba|derdif","ELDENS",False,,pending
|
||||
trmdrt.f,TRMDRT,SUBROUTINE,False,"BASICS|CC|CONVOUT|tdedge|tdflag","PRSENT",False,,pending
|
||||
ubeta.f,UBETA,FUNCTION,True,"","LAGRAN",False,src/math/ubeta.rs,done
|
||||
vern16.f,VERN16,FUNCTION,True,"BASICS","",False,src/math/vern16.rs,done
|
||||
vern18.f,VERN18,FUNCTION,True,"BASICS","",False,src/math/vern18.rs,done
|
||||
vern20.f,VERN20,FUNCTION,True,"BASICS","",False,src/math/vern20.rs,done
|
||||
vern26.f,VERN26,FUNCTION,True,"BASICS","",False,src/math/vern26.rs,done
|
||||
verner.f,VERNER,FUNCTION,False,"BASICS|ATOMIC","QUIT",False,src/math/verner.rs,done
|
||||
visini.f,VISINI,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ITERAT","",True,,pending
|
||||
voigt.f,VOIGT,FUNCTION,True,"","",False,src/math/voigt.rs,done
|
||||
voigte.f,VOIGTE,FUNCTION,True,"","",False,src/math/voigte.rs,done
|
||||
wn.f,WN,FUNCTION,True,"BASICS","",False,src/math/wn.rs,done
|
||||
wnstor.f,WNSTOR,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","",False,src/math/wnstor.rs,done
|
||||
xenini.f,XENINI,SUBROUTINE,False,"BASICS|MODELQ","",True,,pending
|
||||
xk2dop.f,XK2DOP,FUNCTION,True,"","",False,src/math/xk2dop.rs,done
|
||||
yint.f,YINT,FUNCTION,True,"","",False,src/math/interpolate.rs,done
|
||||
ylintp.f,YLINTP,FUNCTION,True,"","",False,src/math/ylintp.rs,done
|
||||
zmrho.f,ZMRHO,SUBROUTINE,False,"BASICS|MODELQ","",False,src/math/zmrho.rs,done
|
||||
|
@ -1,77 +0,0 @@
|
||||
# TLUSTY/SYNSPEC 重构计划
|
||||
|
||||
> **实时追踪见 [FORTRAN_TRACKING.md](../../FORTRAN_TRACKING.md)**
|
||||
> 本文档提供重构优先级和阶段划分参考。
|
||||
|
||||
## 优先级原则
|
||||
|
||||
1. **纯函数优先** - 无 COMMON/I/O 依赖，独立测试
|
||||
2. **依赖少的优先** - 只依赖 BASICS 的函数
|
||||
3. **小型函数优先** - 行数少，风险低
|
||||
4. **核心功能优先** - 辐射转移、不透明度
|
||||
|
||||
## 阶段划分
|
||||
|
||||
### 阶段 1: 纯函数 (is_pure=True)
|
||||
|
||||
已完成大部分，剩余查看：
|
||||
```bash
|
||||
grep "True.*pending" fortran_analysis.csv
|
||||
```
|
||||
|
||||
### 阶段 2: 简单 COMMON 依赖
|
||||
|
||||
只依赖 BASICS 或已有状态结构体的函数。
|
||||
|
||||
### 阶段 3: 复杂 COMMON 依赖
|
||||
|
||||
依赖多个 COMMON 块的函数。
|
||||
|
||||
### 阶段 4: I/O 依赖 (117个)
|
||||
|
||||
最后处理，可能需要设计 I/O 抽象层。
|
||||
|
||||
## 核心函数分类
|
||||
|
||||
### 辐射转移 (RTE)
|
||||
- `bre.f`, `brez.f` - 基本辐射转移
|
||||
- `brte.f`, `brtez.f` - 扩展辐射转移
|
||||
- `rte_sc.f`, `rtedf*.f` - 深度/角度积分
|
||||
|
||||
### 不透明度 (Opacity)
|
||||
- `opacfl.f` - 核心不透明度计算
|
||||
- `opctab.f` - 不透明度表插值
|
||||
- `opadd*.f` - 不透明度叠加
|
||||
|
||||
### 统计平衡 (Statistical Equilibrium)
|
||||
- `bpop*.f` - 束缚态占据数
|
||||
- `levsol.f` - 能级求解 ✅
|
||||
- `ratmat.f` - 速率矩阵
|
||||
|
||||
### ALI 求解器
|
||||
- `alifr1.f`, `alifr3.f`, `alifr6.f` - ALI 迭代
|
||||
|
||||
## 推荐执行顺序
|
||||
|
||||
```
|
||||
1. 完成剩余纯函数
|
||||
2. 简单 COMMON 函数 (setdrt, cubic, dmder ✅)
|
||||
3. 辐射转移核心
|
||||
4. 不透明度核心
|
||||
5. 统计平衡核心
|
||||
6. I/O 封装
|
||||
7. 主程序集成
|
||||
```
|
||||
|
||||
## 查询命令
|
||||
|
||||
```bash
|
||||
# 未完成的纯函数
|
||||
grep "True.*pending" fortran_analysis.csv
|
||||
|
||||
# 只依赖 BASICS 的待处理函数
|
||||
grep "BASICS.*pending" fortran_analysis.csv | grep -v "ATOMIC\|MODELQ"
|
||||
|
||||
# 按行数排序
|
||||
cd tlusty/extracted && wc -l *.f | sort -n | head -30
|
||||
```
|
||||
@ -1,670 +0,0 @@
|
||||
# Fortran → Rust 重构问题与解决方案
|
||||
|
||||
记录重构过程中遇到的问题，避免重复踩坑。
|
||||
|
||||
---
|
||||
|
||||
## 1. Fortran 1-indexed 转 Rust 0-indexed
|
||||
|
||||
### 问题
|
||||
Fortran 数组从 1 开始索引，Rust 从 0 开始。
|
||||
|
||||
### 解决方案
|
||||
```rust
|
||||
// 数组访问
|
||||
arr(i) → arr[i-1]
|
||||
|
||||
// 循环范围
|
||||
DO I=1,N → for i in 0..n
|
||||
|
||||
// 边界条件 (locate, ylintp 等)
|
||||
// Fortran: jl=0 表示"在第一个有效索引之前"
|
||||
// Rust: jl=0 就是第一个有效索引，无需调整
|
||||
```
|
||||
|
||||
### 示例 (ylintp.f)
|
||||
```fortran
|
||||
! Fortran: jl=0 需要调整
|
||||
IF (J.EQ.0) J = J+1 ! 调整到 J=1
|
||||
```
|
||||
```rust
|
||||
// Rust: jl=0 就是第一个有效索引，直接使用
|
||||
// 删除 IF (J.EQ.0) 的调整逻辑
|
||||
```
|
||||
|
||||
---
|
||||
|
||||
## 2. Fortran 表达式解析错误
|
||||
|
||||
### 问题
|
||||
`XL=-LOG(X)` 被误解为 `(-x).ln()` 而不是 `-x.ln()`
|
||||
|
||||
### 示例 (erfcin.f)
|
||||
```fortran
|
||||
XL=-LOG(X) ! 意思是: XL = -ln(X)
|
||||
```
|
||||
```rust
|
||||
// 错误:
|
||||
let xl = (-x).ln(); // ln(-x) = NaN for x>0
|
||||
|
||||
// 正确:
|
||||
let xl = -x.ln(); // -ln(x)
|
||||
```
|
||||
|
||||
### 教训
|
||||
Fortran 中 `-LOG(X)` 是 `-(LOG(X))`，不是 `LOG(-X)`
|
||||
|
||||
---
|
||||
|
||||
## 3. powi 类型歧义
|
||||
|
||||
### 问题
|
||||
`(z1 - z2).powi(2)` 编译错误，类型不明确
|
||||
|
||||
### 解决方案
|
||||
```rust
|
||||
// 错误:
|
||||
(z1 - z2).powi(2) // 编译器无法推断类型
|
||||
|
||||
// 方案1: 显式乘法 (推荐)
|
||||
(z1 - z2) * (z1 - z2)
|
||||
|
||||
// 方案2: 显式类型标注
|
||||
((z1 - z2): f64).powi(2)
|
||||
```
|
||||
|
||||
---
|
||||
|
||||
## 4. 多项式近似精度
|
||||
|
||||
### 问题
|
||||
eint 函数 Rust 与 Fortran 结果差异 ~1.3e-8
|
||||
|
||||
### 原因
|
||||
Abramowitz-Stegun 多项式近似本身精度有限
|
||||
|
||||
### 解决方案
|
||||
放宽 epsilon 到 1e-7
|
||||
```rust
|
||||
// 简单函数: epsilon = 1e-10
|
||||
// 多项式近似: epsilon = 1e-7
|
||||
assert_relative_eq!(e1, exp_e1, epsilon = 1e-7);
|
||||
```
|
||||
|
||||
---
|
||||
|
||||
## 5. 数组索引越界
|
||||
|
||||
### 问题
|
||||
`locate` 函数无限循环
|
||||
|
||||
### 原因
|
||||
Fortran 中 ju=N+1 (越界值)，Rust 直接用导致越界访问
|
||||
|
||||
### 解决方案
|
||||
使用 i64 允许负值，或调整边界逻辑
|
||||
```rust
|
||||
// 使用 i64 支持 jl=-1
|
||||
let mut jl: i64 = -1;
|
||||
let mut ju: i64 = n as i64;
|
||||
```
|
||||
|
||||
---
|
||||
|
||||
## 6. voigte 索引偏移
|
||||
|
||||
### 问题
|
||||
voigte 返回负值
|
||||
|
||||
### 原因
|
||||
Fortran m 值是 1-indexed，Rust 中直接用导致索引偏移
|
||||
|
||||
### 解决方案
|
||||
```rust
|
||||
// Fortran: m=6 表示第6个元素
|
||||
// Rust: 需要用 m-1
|
||||
let (m, quo) = if v < 2.4 {
|
||||
(5, 1.0) // Fortran m=6 → 0-indexed m=5
|
||||
} else {
|
||||
(10, 1.0) // Fortran m=11 → 0-indexed m=10
|
||||
};
|
||||
```
|
||||
|
||||
---
|
||||
|
||||
## 7. 条件分支遗漏
|
||||
|
||||
### 问题
|
||||
voigte 某些参数组合返回错误值
|
||||
|
||||
### 原因
|
||||
漏掉了 Fortran 中的嵌套条件判断
|
||||
|
||||
### 教训
|
||||
仔细对比 Fortran 的所有分支，特别是嵌套 IF
|
||||
|
||||
---
|
||||
|
||||
## 8. COMMON 依赖误判
|
||||
|
||||
### 问题
|
||||
某些标记为"纯函数"的文件实际有 COMMON 依赖
|
||||
|
||||
### 已确认有依赖的文件
|
||||
```
|
||||
gamsp.f - 使用 VOIPAR COMMON
|
||||
sgmer1.f - 使用 COMMON
|
||||
sgmerd.f - 使用 COMMON
|
||||
cross.f - 使用 COMMON
|
||||
gfree1.f - 使用 COMMON
|
||||
gfree0.f - 使用 BASICS, MODELQ COMMON
|
||||
gfreed.f - 使用 BASICS, MODELQ COMMON
|
||||
wn.f - 使用 BASICS COMMON
|
||||
crossd.f - 使用 BASICS, ATOMIC, MODELQ COMMON
|
||||
dopgam.f - 使用 BASICS, ATOMIC, MODELQ COMMON
|
||||
verner.f - 使用 BASICS, ATOMIC COMMON
|
||||
sbfhe1.f - 使用 BASICS, ATOMIC COMMON
|
||||
rayini.f - 有文件 I/O + COMMON
|
||||
```
|
||||
|
||||
### 解决方案
|
||||
重构前检查所有 INCLUDE 语句，不仅是 IMPLIC.FOR
|
||||
|
||||
---
|
||||
|
||||
## 9. Clenshaw 求和整数溢出
|
||||
|
||||
### 问题
|
||||
collhe 中递减循环溢出
|
||||
|
||||
### 原因
|
||||
`ir` 和 `jj` 递减到负数时，无符号整数溢出
|
||||
|
||||
### 解决方案
|
||||
```rust
|
||||
// 错误: 用 usize
|
||||
let mut ir: usize = ...;
|
||||
ir -= 1; // 当 ir=0 时溢出!
|
||||
|
||||
// 正确: 用有符号整数
|
||||
let mut ir: isize = ...;
|
||||
ir -= 1; // 正常变为 -1
|
||||
```
|
||||
|
||||
---
|
||||
|
||||
## 10. 索引计算中间结果溢出
|
||||
|
||||
### 问题
|
||||
collhe 的索引计算 `((iu+1)^2 - 3*(iu+1) + 4)/2` 溢出
|
||||
|
||||
### 原因
|
||||
中间结果超出 usize 范围
|
||||
|
||||
### 解决方案
|
||||
```rust
|
||||
// 使用 i32 避免中间结果溢出
|
||||
let idx = (((iu + 1) * (iu + 1) - 3 * (iu + 1) + 4) / 2 - 1) as usize;
|
||||
```
|
||||
|
||||
---
|
||||
|
||||
## 11. 数组变量命名冲突
|
||||
|
||||
### 问题
|
||||
不同 Fortran 文件中同名变量冲突
|
||||
|
||||
### 原因
|
||||
Fortran 文件局部作用域，Rust 需要唯一名称
|
||||
|
||||
### 解决方案
|
||||
修改 `extract_fortran_data.py`：所有变量添加文件名前缀
|
||||
```rust
|
||||
// 旧: ADI, BDENS (冲突)
|
||||
// 新: DIELRC_ADI, DIELRC_BDENS
|
||||
pub const DIELRC_ADI: [f64; 18] = [...];
|
||||
```
|
||||
|
||||
---
|
||||
|
||||
## 12. 2D 数组存储顺序
|
||||
|
||||
### 问题
|
||||
Fortran 列优先，Rust 行优先
|
||||
|
||||
### 解决方案
|
||||
脚本自动转置，访问方式改变
|
||||
```rust
|
||||
// Fortran: ARR(j, i) 列优先
|
||||
// Rust: ARR[i][j] 行优先 (已转置)
|
||||
```
|
||||
|
||||
---
|
||||
|
||||
## 13. DATA 语句数值解析
|
||||
|
||||
### 问题
|
||||
负数和科学计数法中有空格
|
||||
|
||||
### 示例
|
||||
```fortran
|
||||
DATA A / - 14.2, 1.48 D-2 /
|
||||
```
|
||||
|
||||
### 解决方案
|
||||
```python
|
||||
# 修复负数空格
|
||||
val = re.sub(r'-\s+(\d)', r'-\1', val)
|
||||
# 修复科学计数法空格
|
||||
val = re.sub(r'(\d)\s+([eEdD])', r'\1\2', val)
|
||||
```
|
||||
|
||||
---
|
||||
|
||||
## 14. BPOPF 测试失败 - 温度列与主循环列重叠
|
||||
|
||||
### 问题
|
||||
BPOPF 函数测试中，B[20][21] 的值是 -0.12 而不是预期的 -0.02。
|
||||
|
||||
### 原因
|
||||
测试参数设置导致温度列 (NRE) 与主循环的某一列 (NSE+II) 重叠：
|
||||
- 主循环更新列 NSE+1 到 NSE+NLVEXP (Fortran 1-indexed: 21-23)
|
||||
- 温度列是 NRE (Fortran 1-indexed: 22)
|
||||
- 当 II=2 时，列 NSE+II = 22 = NRE，两者写入同一列
|
||||
|
||||
### 解决方案
|
||||
测试参数设置时避免列重叠：
|
||||
```rust
|
||||
let params = BpopfParams {
|
||||
nfreqe: 10,
|
||||
inse: 11, // NSE = 10 + 11 - 1 = 20
|
||||
inre: 0, // 不更新温度列，避免与主循环列重叠
|
||||
inpc: 0, // 不更新电子密度列
|
||||
// ...
|
||||
};
|
||||
```
|
||||
|
||||
### Fortran 索引转换注意事项
|
||||
- `NSE = NFREQE + INSE - 1` (Fortran 起始列索引)
|
||||
- `NRE = NFREQE + INRE` (温度列，1-indexed)
|
||||
- Rust 主循环: `col = nse + ii` (nse 已经是 0-indexed 起始点)
|
||||
- Rust 温度列: `col = (nre - 1) as usize` (需要减 1 转换为 0-indexed)
|
||||
|
||||
### 调试技巧
|
||||
1. 添加 `#[cfg(test)]` 条件编译的调试输出
|
||||
2. 打印 ESEMAT 矩阵验证是否为单位矩阵
|
||||
3. 打印每次 B 矩阵更新的行、列、值
|
||||
4. 检查温度列和电子密度列是否与主循环列重叠
|
||||
|
||||
---
|
||||
|
||||
## 15. RAYLEIGH 氦散射截面公式错误
|
||||
|
||||
### 问题
|
||||
Rayleigh 氦散射截面计算结果不正确。
|
||||
|
||||
### 原因
|
||||
公式理解错误：
|
||||
- 错误: `5.484e-14 / x2 * (...)` 其中 `x2 = 1/x²`
|
||||
- 正确: `5.484e-14 / (x * x) * (...)`
|
||||
|
||||
### 解决方案
|
||||
```rust
|
||||
// 错误写法
|
||||
let x2 = 1.0 / (x * x);
|
||||
raysct.rche[ik] = 5.484e-14 / x2 * (...); // 这等于 5.484e-14 * x²
|
||||
|
||||
// 正确写法
|
||||
raysct.rche[ik] = 5.484e-14 / (x * x) * (...); // 这等于 5.484e-14 / x²
|
||||
```
|
||||
|
||||
---
|
||||
|
||||
## 16. ALIFR3 - 大型 COMMON 块函数重构策略
|
||||
|
||||
### 问题
|
||||
ALIFR3 函数依赖大量 COMMON 块变量（来自 FIXALP, MODELQ, ALIPAR 等）。
|
||||
|
||||
### 解决方案
|
||||
创建综合的输入结构体，使用生命周期参数引用数据：
|
||||
|
||||
```rust
|
||||
/// 输入状态结构体 (使用生命周期引用数据)
|
||||
pub struct Alifr3ModelState<'a> {
|
||||
// 深度相关 (MDEPTH)
|
||||
pub elec: &'a [f64],
|
||||
pub densi: &'a [f64],
|
||||
// ... 其他字段
|
||||
|
||||
// 输出累积变量 (可变引用)
|
||||
pub heit: &'a mut [f64],
|
||||
pub hein: &'a mut [f64],
|
||||
// ... 其他字段
|
||||
}
|
||||
```
|
||||
|
||||
### 多分支条件处理
|
||||
Fortran 使用 GOTO 分支，Rust 使用 if-else：
|
||||
|
||||
```fortran
|
||||
IF(ILMCOR.NE.3) GO TO 199
|
||||
! ... ILMCOR==3 的代码
|
||||
199 IF(ILASCT.NE.0) GO TO 299
|
||||
! ... ILASCT==0 的代码
|
||||
299 ! ... ILASCT!=0 的代码
|
||||
```
|
||||
|
||||
```rust
|
||||
if params.ilmcor == 3 {
|
||||
// ... ILMCOR==3 的代码
|
||||
return;
|
||||
}
|
||||
if params.ilasct == 0 {
|
||||
// ... ILASCT==0 的代码
|
||||
return;
|
||||
}
|
||||
// ... ILASCT!=0 的代码
|
||||
```
|
||||
|
||||
### 注意事项
|
||||
- ABST 的计算方式在不同分支中不同：
|
||||
- ILMCOR==3: `ABST = UN/ABSO1(ID)`
|
||||
- ILASCT==0: `ABST = UN/(ABSO1(ID)-ELSCAT(ID))`
|
||||
- ILASCT!=0: `ABST = UN/ABSO1(ID)`
|
||||
- DSFN1 的计算在不同分支也有差异（是否包含 SIGEC 项）
|
||||
|
||||
---
|
||||
|
||||
## 17. ALIFR6 - COMMON 块结构体命名冲突
|
||||
|
||||
### 问题
|
||||
添加新的 COMMON 块结构体时，编译器报错 `ambiguous glob re-exports: the name 'Comptn'`。
|
||||
|
||||
### 原因
|
||||
`Comptn` 结构体同时存在于：
|
||||
- `src/state/config.rs` - Compton 散射角度参数（已有）
|
||||
- `src/state/model.rs` - 新添加的重复定义
|
||||
|
||||
两个模块都通过 `pub use *` 重新导出，导致名称冲突。
|
||||
|
||||
### 解决方案
|
||||
添加新结构体前，先搜索是否已存在：
|
||||
```bash
|
||||
grep -r "pub struct Comptn" src/state/
|
||||
```
|
||||
|
||||
如果已存在，扩展现有结构体而不是创建新的。
|
||||
|
||||
---
|
||||
|
||||
## 18. ALIFR6 - 循环中可变变量重新赋值
|
||||
|
||||
### 问题
|
||||
在循环中重新赋值 `s0p = s0p_new` 报错 `cannot assign twice to immutable variable`。
|
||||
|
||||
### 原因
|
||||
变量在 if-else 块中首次定义后，无法在循环中重新赋值。
|
||||
|
||||
### 解决方案
|
||||
```rust
|
||||
// 错误：不可变变量
|
||||
let (s0p, dsft1p, dsfn1p) = if ... { ... };
|
||||
|
||||
// 正确：声明为可变
|
||||
let (mut s0p, mut dsft1p, mut dsfn1p) = if ... { ... };
|
||||
```
|
||||
|
||||
---
|
||||
|
||||
## 19. ALIFR6/ALIFR3 - 大型函数三段式处理模式
|
||||
|
||||
### 模式
|
||||
ALIFR6 和 ALIFR3 类函数有三个独立处理部分：
|
||||
|
||||
1. **第一个深度点 (ID=1)**
|
||||
- 特殊边界条件
|
||||
- DSFT1M/DSFN1M 初始化为 0
|
||||
|
||||
2. **深度循环 (ID=2 到 ND-1)**
|
||||
- 保存前一步值 (DSFTMM, DSFNMM)
|
||||
- 更新当前值
|
||||
- 计算下一步值 (DSFT1P, DSFN1P)
|
||||
|
||||
3. **最深点 (ID=ND)**
|
||||
- IBC 下边界条件处理
|
||||
- 可能的额外导数 (DSFT1D, DSFN1D)
|
||||
|
||||
### IBC 下边界条件
|
||||
| IBC | 说明 |
|
||||
|-----|------|
|
||||
| 0 | 无特殊处理 |
|
||||
| 1 | 简单 Planck 函数修正 |
|
||||
| 2 | 改进边界条件 |
|
||||
| 3 | 完整边界条件 + DSFT1D/DSFN1D |
|
||||
|
||||
---
|
||||
|
||||
## 20. ALIFR6 - 三对角 Lambda* 算子
|
||||
|
||||
### 特点
|
||||
ALIFR6 与 ALIFR3 的主要区别是额外计算三对角算子：
|
||||
|
||||
- **下对角线**: AREIT, AREIN, AREIP (使用 ALIM1)
|
||||
- **上对角线**: CREIT, CREIN, CREIP (使用 ALIP1)
|
||||
- **对角线**: REIT, REIN, REIP (使用 ALI1)
|
||||
|
||||
### IFALI >= 7 额外计算
|
||||
- HEITP, HEINP, HEIPP (He 相关)
|
||||
- REDTP, REDNP, REDPP (Red 相关)
|
||||
- EHET, EHEN, EHEP (Ehe 相关)
|
||||
- ERET, EREN, EREP (Ere 相关)
|
||||
|
||||
---
|
||||
|
||||
## 快速检查清单
|
||||
|
||||
重构新函数前检查：
|
||||
|
||||
- [ ] 是否有 INCLUDE 语句 (除 IMPLIC.FOR 外)
|
||||
- [ ] 是否使用 COMMON 块
|
||||
- [ ] COMMON 块结构体是否已存在于其他模块 (grep 检查)
|
||||
- [ ] 是否有文件 I/O (OPEN, READ, WRITE)
|
||||
- [ ] 数组索引是否需要 -1 调整
|
||||
- [ ] 循环变量是否可能变负 (用 isize/i32)
|
||||
- [ ] 多项式近似精度是否需要放宽
|
||||
- [ ] 是否有嵌套 IF 分支遗漏
|
||||
- [ ] 矩阵列索引是否可能与温度/密度列重叠
|
||||
- [ ] 公式中 `1/x` 和 `x` 的顺序是否正确
|
||||
- [ ] 大型 COMMON 块函数是否需要创建综合输入结构体
|
||||
- [ ] 多分支 GOTO 是否正确转换为 if-else
|
||||
- [ ] 循环中重新赋值的变量是否声明为 mut
|
||||
- [ ] 变量字段在哪个 COMMON 块 → 对应哪个 Rust 结构体 (查 `.FOR` 原文)
|
||||
- [ ] 测试初始化用 `ModelState::new()` 而非 `::default()`
|
||||
- [ ] 二维数组内层维度是否是深度/角度/频率 (不要默认 MDEPTH)
|
||||
- [ ] loop 内部积分变量是否在 loop 外声明以便 break 后使用
|
||||
|
||||
---
|
||||
|
||||
## 21. COMMON 块变量所属结构体查找
|
||||
|
||||
### 问题
|
||||
Fortran COMMON 块变量（如 `IDISK`、`IBC`、`ICHCOO`、`IJORIG`）应放在哪个 Rust 结构体中？
|
||||
|
||||
### 解决方案
|
||||
通过查阅 `.FOR` 中的 COMMON 定义来确认：
|
||||
- `IDISK`、`IBC` → `BASICS.FOR` 的 `COMMON/BASNUM/` → `config.basnum`
|
||||
- `ICHCOO`、`ICOMST`、`ICOMDE` → `BASICS.FOR` 的 `common/compti/` → `config.compti`
|
||||
- `IJORIG` → `BASICS.FOR` 的 `common/comptn/` → `config.comptn.ijorig`
|
||||
- `IWINBL` → `MODELQ.FOR` 的 `COMMON/WINDBL/` → `model.windbl.iwinbl`
|
||||
- `IFZ0` → `BASICS.FOR` 的 `COMMON/CENTRL/` → `config.centrl.ifz0`
|
||||
|
||||
```bash
|
||||
# 快速查找变量所在 COMMON 块
|
||||
grep -i "变量名" tlusty/extracted/*.FOR
|
||||
```
|
||||
|
||||
### 教训
|
||||
编译报错 `no field 'xxx' on type 'Accel'` 时，不要盲目添加字段——先查原始 `.FOR` 确认 COMMON 归属。
|
||||
|
||||
---
|
||||
|
||||
## 22. 循环外变量对 break 后可见
|
||||
|
||||
### 问题
|
||||
`ah`、`qq0`、`u0` 在 ALI 循环内定义，循环 `break` 后用于写回结果时编译报 `cannot find value`。
|
||||
|
||||
### 原因
|
||||
Rust 变量作用域严格，`loop {}` 块内 `let` 声明的变量在块外不可见。
|
||||
|
||||
### 解决方案
|
||||
```rust
|
||||
// 正确：循环前提前声明，循环内用 _inner 临时变量
|
||||
let mut ah = 0.0f64;
|
||||
let mut qq0 = 0.0f64;
|
||||
loop {
|
||||
let mut ah_inner = 0.0f64;
|
||||
let mut qq0_inner = 0.0f64;
|
||||
// 积分计算...
|
||||
if converged {
|
||||
ah = ah_inner; // break 前赋值回外部变量
|
||||
qq0 = qq0_inner;
|
||||
break;
|
||||
}
|
||||
}
|
||||
model.surfac.flux[ij] = ah; // 此处可用
|
||||
```
|
||||
|
||||
### 常见错误（变量被遮蔽）
|
||||
```rust
|
||||
let mut ah = 0.0f64;
|
||||
loop {
|
||||
let mut ah = 0.0; // ← 遮蔽外层 ah！外层永远是 0
|
||||
if converged { break; }
|
||||
}
|
||||
// ah 还是 0
|
||||
```
|
||||
|
||||
---
|
||||
|
||||
## 23. 测试初始化：`ModelState::new()` vs `::default()`
|
||||
|
||||
### 问题
|
||||
测试报错 `index out of bounds: the len is 0 but the index is 0`，即便访问 `model.totrad.rad[0][0]`。
|
||||
|
||||
### 原因
|
||||
`ModelState` 有 `#[derive(Default)]`，但 `CurRad` 等子结构体**只有 `new()` 方法，没有手动 `Default` 实现**。
|
||||
`derive(Default)` 对 `Vec` 产生空 Vec，访问任意元素都越界。
|
||||
|
||||
### 解决方案
|
||||
```rust
|
||||
// ❌ 错误：CurRad::default() 产生空 Vec
|
||||
let mut model = ModelState::default();
|
||||
|
||||
// ✅ 正确：ModelState::new() 调用 CurRad::new()，正确分配数组
|
||||
let mut model = ModelState::new();
|
||||
```
|
||||
|
||||
---
|
||||
|
||||
## 24. `extint` 索引：内层是角度维度
|
||||
|
||||
### 问题
|
||||
`model.totrad.extint[ij][i]` 在 `for i in 0..MDEPTH` 循环中越界（len=6, index=6）。
|
||||
|
||||
### 原因
|
||||
`extint` 对应 Fortran `EXTINT(MFREQ, MMU)`：
|
||||
- 外层：频率索引（MFREQ）
|
||||
- **内层：角度索引（MMU = 6），不是深度！**
|
||||
|
||||
### 解决方案
|
||||
```rust
|
||||
// 正确：遍历角度 (MMU=6)
|
||||
use crate::state::constants::MMU;
|
||||
for i in 0..MMU {
|
||||
model.totrad.extint[0][i] = 0.0;
|
||||
}
|
||||
```
|
||||
|
||||
---
|
||||
|
||||
## 25. 常用二维数组维度汇总
|
||||
|
||||
| 变量 | 外层维度 | 内层维度 |
|
||||
|------|---------|---------|
|
||||
| `totrad.rad[ij][id]` | 频率 MFREQ | 深度 MDEPTH |
|
||||
| `totrad.extint[ij][i]` | 频率 MFREQ | **角度 MMU** |
|
||||
| `totrad.fak[ij][id]` | 频率 MFREQ | 深度 MDEPTH |
|
||||
| `comptf.delj[iji][id]` | 频率 MFREQ | 深度 MDEPTH |
|
||||
| `expraf.radex[ije][id]` | 显式频率 MFREX | 深度 MDEPTH |
|
||||
| `angles.amu[i]` / `wtmu[i]` | 角度 MMU | — |
|
||||
|
||||
### 教训
|
||||
看到二维数组前，确认两个维度各是什么，不要默认都是 MDEPTH。
|
||||
|
||||
---
|
||||
|
||||
## 26. 2026-03-21 新增模块完整性检查
|
||||
|
||||
### SETDRT (密度对温度的导数)
|
||||
- **状态**: ✅ 完整
|
||||
- 原版 Fortran 调用 RHOEOS 函数
|
||||
- Rust 版使用泛型函数参数 `rhoeos_fn`，设计更灵活
|
||||
- 有限差分计算完全一致
|
||||
|
||||
### TAUFR1 (光学深度计算)
|
||||
- **状态**: ✅ 完整
|
||||
- `ss0` 数组在原版中也计算但未使用，与 Fortran 一致
|
||||
- `XCON` 常量在原版定义但未使用，已忽略
|
||||
- 核心逻辑：光学深度计算、参考深度插值、Planck 函数计算
|
||||
|
||||
### TABINT (频率表插值)
|
||||
- **状态**: ⚠️ 部分实现
|
||||
- **问题**: `interpolate_opacity` 函数中未实际修改 `absopac` 数组
|
||||
- 代码中有注释 "暂时跳过实际修改"
|
||||
- 二分查找和插值系数计算完整
|
||||
|
||||
**待修复**:
|
||||
```rust
|
||||
// 当前代码 (错误):
|
||||
let opac = rc * (params.freq[ij] / frtab[j - 1]).log10() + absort[j - 1];
|
||||
let _ = opac; // 计算了但没有写回
|
||||
|
||||
// 应该:
|
||||
// 需要设计一个可变引用来修改 absopac
|
||||
```
|
||||
|
||||
### RYBMAT (Rybicki矩阵)
|
||||
- **状态**: ⚠️ 简化实现
|
||||
- 原版 ~390 行 → Rust 375 行
|
||||
- **问题**: 测试失败 `result.rb[0].is_finite()` 返回 NaN
|
||||
|
||||
**可能原因**:
|
||||
1. 边界条件 `id=0` 时 `dm[id+1] - dm[id]` 可能为零
|
||||
2. `abso1` 数组可能包含零值导致除零
|
||||
3. Hermitian 方法 (`isplin=2`) 被简化
|
||||
|
||||
**待修复**:
|
||||
```rust
|
||||
// 需要添加边界检查
|
||||
let ddm = (params.dm[id + 1] - params.dm[id]) * HALF;
|
||||
if ddm.abs() < 1e-30 {
|
||||
continue; // 跳过无效深度点
|
||||
}
|
||||
let dtm = UN / ((params.abso1[id] + params.abso1[id + 1]) * ddm);
|
||||
```
|
||||
|
||||
---
|
||||
|
||||
## 27. 优先级列表注意事项
|
||||
|
||||
优先级列表 (`python3 scripts/analyze_fortran.py --priority`) 显示"传递未实现=0"的函数可能有隐藏依赖：
|
||||
|
||||
- **SETDRT** 调用 RHOEOS（标记为 pending），但通过函数参数传入解决了
|
||||
- **TABINT** 无外部调用，真正独立
|
||||
- **TAUFR1** 无外部调用，真正独立
|
||||
- **RYBMAT** 无外部调用，但依赖大量 COMMON 块变量
|
||||
|
||||
**教训**: 优先级列表只检查显式的 SUBROUTINE/FUNCTION 调用，不检查：
|
||||
1. COMMON 块依赖
|
||||
2. 通过参数传入的函数指针
|
||||
3. 隐式的外部函数引用
|
||||
@ -1,283 +0,0 @@
|
||||
# TLUSTY/SYNSPEC Rust 重构计划
|
||||
|
||||
## 概述
|
||||
|
||||
**目标**: 将 TLUSTY/SYNSPEC Fortran 代码渐进式重构为 Rust
|
||||
|
||||
**策略**: 从 `tlusty/extracted/` 中无 COMMON 依赖的纯函数开始，一个文件一个文件地重构
|
||||
|
||||
**代码规模**:
|
||||
- TLUSTY: 304 个单元，195 个纯函数
|
||||
- SYNSPEC: 168 个单元，93 个纯函数
|
||||
|
||||
---
|
||||
|
||||
## 1. 重构原则
|
||||
|
||||
1. **渐进式**: 每次只重构一个文件，保持系统可用
|
||||
2. **测试驱动**: 每个重构的函数必须有测试验证
|
||||
3. **精度保证**: 与 Fortran 输出对比，相对误差 < 1e-10
|
||||
4. **文档先行**: 记录每个函数的算法和边界条件
|
||||
|
||||
---
|
||||
|
||||
## 2. 源文件位置
|
||||
|
||||
```
|
||||
tlusty/extracted/ # TLUSTY 拆分后的文件
|
||||
├── expo.f # 纯函数示例
|
||||
├── yint.f
|
||||
├── tridag.f
|
||||
├── ...
|
||||
├── _PURE_UNITS.txt # 无 COMMON 依赖的函数列表
|
||||
├── _COMMON_ANALYSIS.txt # COMMON 依赖分析
|
||||
└── _SUMMARY.txt # 提取摘要
|
||||
|
||||
synspec/extracted/ # SYNSPEC 拆分后的文件
|
||||
└── ...
|
||||
```
|
||||
|
||||
---
|
||||
|
||||
## 3. 推荐重构顺序
|
||||
|
||||
按文件大小从小到大排序（简单优先）:
|
||||
|
||||
```bash
|
||||
# 查看最小文件
|
||||
cd /home/fmq/program/tlusty/tl208-s54/rust
|
||||
while read name; do
|
||||
if [ -f "tlusty/extracted/${name,,}.f" ]; then
|
||||
lines=$(wc -l < "tlusty/extracted/${name,,}.f")
|
||||
echo "$lines $name"
|
||||
fi
|
||||
done < tlusty/extracted/_PURE_UNITS.txt | sort -n | head -20
|
||||
```
|
||||
|
||||
**第一批 (最简单)**:
|
||||
|
||||
| 顺序 | 文件 | 行数 | 功能 |
|
||||
|------|------|------|------|
|
||||
| 1 | expo.f | 10 | 安全指数函数 |
|
||||
| 2 | quit.f | 10 | 退出子程序 |
|
||||
| 3 | ffcros.f | 13 | 截面计算 |
|
||||
| 4 | gamsp.f | 14 | 展宽因子 |
|
||||
| 5 | sgmer1.f | 14 | Stark展宽 |
|
||||
| 6 | sgmerd.f | 15 | Stark展宽 |
|
||||
| 7 | lagran.f | 16 | Lagrange插值 |
|
||||
| 8 | gntk.f | 17 | Gaunt因子 |
|
||||
| 9 | raph.f | 17 | 有理化函数 |
|
||||
| 10 | cross.f | 18 | 截面计算 |
|
||||
| 11 | eint.f | 18 | 指数积分 |
|
||||
| 12 | sghe12.f | 18 | He 展宽 |
|
||||
| 13 | yint.f | 18 | 二次插值 |
|
||||
| 14 | erfcin.f | 20 | 误差函数补 |
|
||||
| 15 | erfcx.f | 20 | 缩放误差函数 |
|
||||
| 16 | gfree1.f | 21 | Gaunt自由 |
|
||||
| 17 | sbfhmi_old.f | 22 | H- 截面 |
|
||||
| 18 | tridag.f | 22 | 三对角矩阵求解 |
|
||||
| 19 | timing.f | 24 | 计时 |
|
||||
| 20 | expint.f | 30 | 指数积分 |
|
||||
|
||||
---
|
||||
|
||||
## 4. 单文件重构流程
|
||||
|
||||
### Step 1: 读取并分析 Fortran 源码
|
||||
|
||||
```bash
|
||||
# 读取源文件
|
||||
cat tlusty/extracted/expo.f
|
||||
```
|
||||
|
||||
记录以下信息：
|
||||
- 函数名/子程序名
|
||||
- 输入参数及其类型
|
||||
- 返回值
|
||||
- 算法逻辑
|
||||
- 边界条件
|
||||
|
||||
### Step 2: 创建 Rust 项目结构 (首次执行)
|
||||
|
||||
```bash
|
||||
cd /home/fmq/program/tlusty/tl208-s54/rust
|
||||
|
||||
# 创建 Cargo.toml
|
||||
cat > Cargo.toml << 'EOF'
|
||||
[package]
|
||||
name = "tlusty-rust"
|
||||
version = "0.1.0"
|
||||
edition = "2021"
|
||||
|
||||
[dependencies]
|
||||
ndarray = "0.15"
|
||||
num-traits = "0.2"
|
||||
anyhow = "1.0"
|
||||
|
||||
[dev-dependencies]
|
||||
approx = "0.5"
|
||||
EOF
|
||||
|
||||
# 创建目录
|
||||
mkdir -p src/math src/physics tests/fixtures
|
||||
```
|
||||
|
||||
### Step 3: 编写 Rust 实现
|
||||
|
||||
```rust
|
||||
// src/math/expo.rs
|
||||
/// 安全的指数函数，限制输入范围防止溢出
|
||||
pub fn expo(x: f64) -> f64 {
|
||||
const CRIT: f64 = 80.0;
|
||||
x.clamp(-CRIT, CRIT).exp()
|
||||
}
|
||||
|
||||
#[cfg(test)]
|
||||
mod tests {
|
||||
use super::*;
|
||||
use approx::assert_relative_eq;
|
||||
|
||||
#[test]
|
||||
fn test_expo() {
|
||||
assert_relative_eq!(expo(0.0), 1.0);
|
||||
assert_relative_eq!(expo(1.0), std::f64::consts::E);
|
||||
// 大数被限制
|
||||
assert_relative_eq!(expo(100.0), 80.0_f64.exp());
|
||||
}
|
||||
}
|
||||
```
|
||||
|
||||
### Step 4: 更新 lib.rs
|
||||
|
||||
```rust
|
||||
// src/lib.rs
|
||||
pub mod math;
|
||||
|
||||
// 已完成的重构
|
||||
pub mod expo;
|
||||
```
|
||||
|
||||
### Step 5: 运行测试
|
||||
|
||||
```bash
|
||||
cargo test expo
|
||||
```
|
||||
|
||||
### Step 6: 记录进度
|
||||
|
||||
```bash
|
||||
echo "expo - 10行 - ✓ 完成" >> REFACTORING_PROGRESS.txt
|
||||
```
|
||||
|
||||
---
|
||||
|
||||
## 5. Fortran 语法转换参考
|
||||
|
||||
### 变量类型
|
||||
|
||||
| Fortran | Rust |
|
||||
|---------|------|
|
||||
| `IMPLICIT REAL*8(A-H,O-Z)` | `f64` |
|
||||
| `INTEGER` | `i32` |
|
||||
| `LOGICAL` | `bool` |
|
||||
| `CHARACTER*N` | `[u8; N]` 或 `String` |
|
||||
|
||||
### 数组
|
||||
|
||||
| Fortran (1-indexed) | Rust (0-indexed) |
|
||||
|---------------------|------------------|
|
||||
| `DIMENSION A(3)` | `a: [f64; 3]` |
|
||||
| `DIMENSION A(N)` | `a: &[f64]` 或 `Vec<f64>` |
|
||||
| `A(1)` | `a[0]` |
|
||||
|
||||
### 控制结构
|
||||
|
||||
```fortran
|
||||
IF (X .LT. 0) THEN
|
||||
Y = -X
|
||||
ELSE
|
||||
Y = X
|
||||
END IF
|
||||
```
|
||||
|
||||
```rust
|
||||
let y = if x < 0.0 { -x } else { x };
|
||||
```
|
||||
|
||||
---
|
||||
|
||||
## 6. 测试规范
|
||||
|
||||
### 单元测试
|
||||
|
||||
每个重构的函数必须有：
|
||||
1. 正常值测试
|
||||
2. 边界值测试
|
||||
3. 特殊情况测试
|
||||
|
||||
### 回归测试
|
||||
|
||||
对于复杂函数，用 Fortran 生成参考数据：
|
||||
|
||||
```bash
|
||||
# 创建 Fortran 测试程序
|
||||
cat > test_expint.f << 'EOF'
|
||||
program test_expint
|
||||
IMPLICIT REAL*8(A-H,O-Z)
|
||||
do 10 x = 0.1, 10.0, 0.5
|
||||
y = expint(x)
|
||||
write(*,*) x, y
|
||||
10 continue
|
||||
end
|
||||
|
||||
FUNCTION EXPINT(X)
|
||||
IMPLICIT REAL*8(A-H,O-Z)
|
||||
... (复制原函数)
|
||||
END
|
||||
EOF
|
||||
|
||||
gfortran -o test_expint test_expint.f
|
||||
./test_expint > tests/fixtures/expint_expected.txt
|
||||
```
|
||||
|
||||
---
|
||||
|
||||
## 7. 进度跟踪
|
||||
|
||||
创建文件 `REFACTORING_PROGRESS.txt`:
|
||||
|
||||
```
|
||||
# 重构进度
|
||||
# 格式: 函数名 - 行数 - 状态 - 完成日期
|
||||
|
||||
## 已完成
|
||||
expo - 10 - ✓ - 2026-03-XX
|
||||
|
||||
## 进行中
|
||||
(无)
|
||||
|
||||
## 待处理
|
||||
yint - 18 - ⬜
|
||||
tridag - 22 - ⬜
|
||||
...
|
||||
```
|
||||
|
||||
---
|
||||
|
||||
## 8. 下一步行动
|
||||
|
||||
**新会话启动后**:
|
||||
|
||||
1. 读取本文档: `cat REFACTORING_PLAN.md`
|
||||
2. 查看进度: `cat REFACTORING_PROGRESS.txt`
|
||||
3. 选择下一个文件（从未完成的最小文件开始）
|
||||
4. 按照流程执行重构
|
||||
|
||||
**第一个文件**: `expo.f` (10行，最简单)
|
||||
RYBMAT 0 0 0 0 0 ○
|
||||
SETDRT 0 0 0 0 0 ○
|
||||
TABINT 0 0 0 0 0 ○
|
||||
TAUFR1 可能有问题
|
||||
|
||||
SETDRT 调用的 RHOEOS 可能被分析脚本漏掉了（因为 RHOEOS 是 FUNCTION 不是 SUBROUTINE）
|
||||
或者脚本认为 RHOEOS 不在调用依赖中
|
||||
@ -1,403 +0,0 @@
|
||||
|
||||
---
|
||||
|
||||
## TLUSTY208.F 拆分工作 (2026-03-18)
|
||||
|
||||
### 任务：将单文件拆分为多个独立模块
|
||||
|
||||
**执行流程:**
|
||||
|
||||
```bash
|
||||
cd /home/fmq/program/tlusty/tl208-s54/rust
|
||||
python3 extract_fortran.py tlusty/tlusty208.f tlusty/extracted/
|
||||
cp tlusty/*.FOR tlusty/extracted/
|
||||
```
|
||||
|
||||
### 提取结果
|
||||
|
||||
| 项目 | 数量 |
|
||||
|------|------|
|
||||
| 程序单元 | **304** |
|
||||
| 子程序 (SUBROUTINE) | 269 |
|
||||
| 函数 (FUNCTION) | 32 |
|
||||
| 主程序 (PROGRAM) | 1 |
|
||||
| BLOCK DATA | **2** (含1个无名) |
|
||||
| 无 COMMON 依赖的纯函数 | 195 |
|
||||
|
||||
> 注意: 2026-03-19 修复了无名 BLOCK DATA 提取问题，单元数从 303 增加到 304
|
||||
|
||||
### Include 文件
|
||||
|
||||
```
|
||||
tlusty/extracted/*.FOR
|
||||
├── IMPLIC.FOR # 隐式类型声明
|
||||
├── BASICS.FOR # 基本参数和物理常数
|
||||
├── ITERAT.FOR # 迭代控制参数
|
||||
├── ALIPAR.FOR # ALI 参数
|
||||
├── ATOMIC.FOR # 原子数据
|
||||
├── MODELQ.FOR # 模型物理量
|
||||
├── ODFPAR.FOR # ODF 参数
|
||||
└── ARRAY1.FOR # 主工作数组
|
||||
```
|
||||
|
||||
### 编译配置
|
||||
|
||||
**关键编译选项**:
|
||||
```makefile
|
||||
FFLAGS = -O3 -fno-automatic -mcmodel=large
|
||||
```
|
||||
|
||||
- `-mcmodel=large`: 支持 >2GB 地址空间
|
||||
- `-fno-automatic`: 所有变量默认为静态存储（兼容旧Fortran代码）
|
||||
- **不要使用** `-ffixed-line-length-none`: 会将第73-80列的注释区当作代码解析
|
||||
|
||||
### 编译验证
|
||||
|
||||
```bash
|
||||
cd tlusty/extracted && make clean && make
|
||||
# 生成: tlusty_extracted (1,940,488 bytes)
|
||||
|
||||
# 直接编译
|
||||
gfortran -fno-automatic -mcmodel=large -O3 -o tlusty.exe tlusty208.f
|
||||
# 生成: tlusty.exe (1,997,416 bytes)
|
||||
```
|
||||
|
||||
**结论**: 功能等价，拆分编译文件更小 (-2.9%)
|
||||
|
||||
### 拆分编译 vs 直接编译对比
|
||||
|
||||
| 方面 | 直接编译 | 拆分编译 |
|
||||
|------|---------|---------|
|
||||
| 文件大小 | 1,997,416 B | 1,940,488 B |
|
||||
| 功能 | 相同 | 相同 |
|
||||
| 增量编译 | ❌ | ✅ |
|
||||
| 代码定位 | 困难 | 简单 |
|
||||
|
||||
### 无 COMMON 依赖的纯函数 (198个)
|
||||
|
||||
可独立测试和重构的单元:
|
||||
```
|
||||
ACCEL2, ALIFR1, ALIFR3, ALIFR6, ALIFRK, ALISK1, ALISK2, ALIST1, ALIST2,
|
||||
ANGSET, BETAH, BHE, BKHSGO, BPOP, BPOPE, BPOPF, BPOPT, BRE, BREZ,
|
||||
BRTE, BRTEZ, BUTLER, CARBON, CEH12, CHANGE, CHCKSE, CHEAV, CHEAVJ,
|
||||
CIA_H2H, CIA_H2H2, CIA_H2HE, CIA_HHE, CION, CKOEST, COLH, COLHE,
|
||||
COLLHE, CONCOR, CORRWM, CROSS, CROSSD, CSPEC, DIELRC, DIETOT, DIVSTR,
|
||||
DMEVAL, DOPGAM, DWNFR, DWNFR0, DWNFR1, EINT, EMAT, ENTENE, ERFCIN,
|
||||
ERFCX, EXPINT, EXPINX, EXPO, FFCROS, GAMI, GAMSP, GAULEG, GAUNT,
|
||||
GETWRD, GFREE0, GFREE1, GFREED, GNTK, GRCOR, GREYD, GRIDP, H2MINUS,
|
||||
HEPHOT, HIDALG, IJALI2, IJALIS, INCLDY, INDEXX, INIFRS, INILAM, INTERP,
|
||||
INTHYD, INTLEM, INTXEN, IRC, LAGRAN, LAGUER, LEMINI, LEVGRP, LEVSET,
|
||||
LEVSOL, LINEQS, LINSEL, LINSET, LINSPL, LOCATE, LTEGR, LUCY, LYMLIN,
|
||||
MATGEN, MATINV, MEANOP, MEANOPT, MINV3, NEWPOP, NSTOUT, ODF1, ODFFR,
|
||||
ODFHST, ODFHYD, ODFHYS, ODFMER, OPACFL, OPADD0, OPAHST, OPAINI, OPCTAB,
|
||||
OSCCOR, OUTPUT, PFCNO, PFFE, PFHEAV, PFNI, PFSPEC, PRCHAN, PRD, PRDINI,
|
||||
PRINC, PRNT, PROFSP, PSOLVE, PZERT, QUARTC, QUIT, RADPRE, RAPH, RATES1,
|
||||
RATMAL, RATMAT, RATSP1, RAYINI, RAYSET, RDATAX, READBF, RECHCK, REFLEV,
|
||||
REIMAN, RHOEOS, RHONEN, ROSSOP, ROSSTD, RTEDF2, RTEFE2, RTESOL, RTE_SC,
|
||||
SABOLF, SBFCH, SBFHE1, SBFHMI, SBFHMI_OLD, SBFOH, SFFHMI, SFFHMI_ADD,
|
||||
SGHE12, SGMER0, SGMER1, SGMERD, SIGAVE, SIGK, SIGMAR, SPSIGK, SRTFRQ,
|
||||
STARK0, STARKA, SWITCH, SZIRC, TDPINI, TIMING, TIOPF, TLUSTY, TRAINI,
|
||||
TRIDAG, UBETA, VERN16, VERN18, VERN20, VERN26, VERNER, VISINI, VOIGT,
|
||||
VOIGTE, WN, WNSTOR, XENINI, XK2DOP, YINT, YLINTP, ZMRHO
|
||||
```
|
||||
---
|
||||
|
||||
## SYNSPEC54.F 拆分工作 (2026-03-18)
|
||||
|
||||
### 任务：将单文件拆分为多个独立模块
|
||||
|
||||
**执行流程:**
|
||||
|
||||
#### 1. 创建提取脚本 `extract_fortran.py`
|
||||
|
||||
```python
|
||||
# 核心功能:
|
||||
# - 正则匹配 SUBROUTINE/FUNCTION/PROGRAM/BLOCK DATA
|
||||
# - 查找对应的 END 语句确定边界
|
||||
# - 提取到独立 .f 文件
|
||||
# - 分析 COMMON 块依赖
|
||||
# - 生成 Makefile
|
||||
```
|
||||
|
||||
#### 2. 运行提取
|
||||
|
||||
```bash
|
||||
cd /home/fmq/program/tlusty/tl208-s54/rust
|
||||
python3 extract_fortran.py synspec/synspec54.f synspec/extracted/
|
||||
cp synspec/*.FOR synspec/extracted/
|
||||
```
|
||||
|
||||
#### 3. 提取结果
|
||||
|
||||
| 项目 | 数量 |
|
||||
|------|------|
|
||||
| 程序单元 | 168 |
|
||||
| 子程序 (SUBROUTINE) | 134 |
|
||||
| 函数 (FUNCTION) | 33 |
|
||||
| 主程序 (PROGRAM) | 1 |
|
||||
| 总代码行数 | 23,050 |
|
||||
| 无 COMMON 依赖的纯函数 | 93 |
|
||||
|
||||
#### 4. 编译配置
|
||||
|
||||
**关键编译选项** (解决大型 COMMON 数组链接问题):
|
||||
```makefile
|
||||
FFLAGS = -O3 -fno-automatic -mcmodel=large
|
||||
```
|
||||
|
||||
- `-mcmodel=large`: 支持 >2GB 地址空间
|
||||
- `-fno-automatic`: 所有变量默认为静态存储（兼容旧Fortran代码）
|
||||
- **不要使用** `-ffixed-line-length-none`: 会将第73-80列的注释区当作代码解析
|
||||
|
||||
#### 5. 编译验证
|
||||
|
||||
```bash
|
||||
cd synspec/extracted && make clean && make
|
||||
# 生成: synspec_extracted (1,000,408 bytes)
|
||||
```
|
||||
|
||||
**对比原始编译:**
|
||||
```bash
|
||||
gfortran -O3 -fno-automatic -mcmodel=large -o synspec_direct.exe synspec54.f
|
||||
# 生成: synspec_direct.exe (1,044,928 bytes)
|
||||
```
|
||||
|
||||
**结论**: 功能完全等价，拆分编译更小 (-4.3%)
|
||||
|
||||
### 生成的文件结构
|
||||
|
||||
```
|
||||
synspec/extracted/
|
||||
├── synspec.f # 主程序 (174行)
|
||||
├── start.f # 子程序 (107行)
|
||||
├── sbfhmi.f # H⁻ 光电离截面函数 (42行)
|
||||
├── expint.f # 指数积分函数 (18行)
|
||||
├── ... # 共168个 .f 文件
|
||||
├── PARAMS.FOR # 参数定义 (include)
|
||||
├── MODELP.FOR # 模型参数 (include)
|
||||
├── LINDAT.FOR # 谱线数据 (include)
|
||||
├── SYNTHP.FOR # 合成谱参数 (include)
|
||||
├── WINCOM.FOR # 窗口通信 (include)
|
||||
├── Makefile # 自动构建
|
||||
├── _SUMMARY.txt # 提取摘要
|
||||
├── _COMMON_ANALYSIS.txt # COMMON 依赖分析
|
||||
└── _PURE_UNITS.txt # 纯函数列表
|
||||
```
|
||||
|
||||
### COMMON 块分析结果
|
||||
|
||||
**有 COMMON 依赖的单元**: 75 个
|
||||
**唯一 COMMON 块**: 68 个
|
||||
|
||||
主要 COMMON 块:
|
||||
- `BLAPAR`, `LIMPAR` - 谱线参数
|
||||
- `EMFLUX` - 辐射流
|
||||
- `RTEOPA` - 辐射转移不透明度
|
||||
- `NLTPOP` - 非LTE布居数
|
||||
- `lasers` - 激光数据处理
|
||||
|
||||
### 拆分编译 vs 直接编译对比
|
||||
|
||||
| 方面 | 直接编译 | 拆分编译 |
|
||||
|------|---------|---------|
|
||||
| 文件大小 | 1,044,928 B | 1,000,408 B |
|
||||
| 功能 | 相同 | 相同 |
|
||||
| 增量编译 | ❌ | ✅ |
|
||||
| 代码定位 | 困难 | 简单 |
|
||||
| 模块化重构 | 困难 | 容易 |
|
||||
|
||||
### 提取脚本位置
|
||||
|
||||
```
|
||||
extract_fortran.py
|
||||
```
|
||||
|
||||
### 推荐用法
|
||||
|
||||
```bash
|
||||
# 开发/调试/重构
|
||||
cd synspec/extracted && make
|
||||
|
||||
# 生产环境/快速编译
|
||||
cd synspec && gfortran -O3 -fno-automatic -mcmodel=large -o synspec.exe synspec54.f
|
||||
```
|
||||
|
||||
### 无 COMMON 依赖的纯函数 (93个)
|
||||
|
||||
可独立测试和重构的函数:
|
||||
```
|
||||
CARBON, CHANGE, CHCKAB, CIA_H2H, CIA_H2H2, CIA_H2HE, CIA_HHE,
|
||||
COUNT_WORDS, DENSIT, DIVHE2, DIVSTR, DWNFR0, DWNFR1, EPS,
|
||||
EXOPF, EXPINT, EXTPRF, FEAUTR, GAMHE, GAUNT, GETWRD, GFREE,
|
||||
GNTK, GRIEM, H2MINUS, H2OPF, HE2SET, HE2SEW, HEPHOT, HESET,
|
||||
HIDALG, HYDINI, HYDTAB, HYLSET, HYLSEW, INIBLM, INKUR, INPBF,
|
||||
INTERP, INTHYD, INTRP, INTXEN, IRWPF, ISPEC, LEVSOL, LINEQS,
|
||||
LOCATE, LYMLIN, MATINV, MOLOP, MPARTF, OPADD, PARTDV, PARTF,
|
||||
PFFE, PFHEAV, PFNI, PFSPEC, PHTX, QUIT, RATMAT, READBF,
|
||||
REIMAN, SABOLF, SBFCH, SBFHE1, SBFHMI, SBFHMI_OLD, SBFOH,
|
||||
SETRAY, SFFHMI, SFFHMI_OLD, SGHE12, SGMERG, SPSIGK, STARK0,
|
||||
STARKA, STARKIR, STATE0, SYNSPEC, TINT, TRIDAG, VELSET,
|
||||
VOIGTE, VOPF, WGTJH1, WN, WNSTOR, WTOT, XENINI, XK2DOP, YINT, YLINTP
|
||||
```
|
||||
|
||||
---
|
||||
|
||||
## 功能验证测试 (2026-03-19)
|
||||
|
||||
### 测试环境变量
|
||||
|
||||
```bash
|
||||
export TL208=/home/fmq/program/tlusty
|
||||
export TLUSTY=$TL208/tl208-s54
|
||||
export LINELIST=$TL208/linelist
|
||||
export IRON=$TL208/irondata
|
||||
export OPTABLES=$TL208/optables
|
||||
```
|
||||
|
||||
### 测试目录
|
||||
|
||||
```
|
||||
tests/tlusty/hhe/ # H-He 模型测试用例
|
||||
├── hhe35lt.5 # LTE 模型输入
|
||||
├── hhe35nc.5 # NLTE continua 模型输入
|
||||
├── hhe35nl.5 # NLTE with lines 模型输入
|
||||
└── hhe35*.7,9,14 # 预期输出文件
|
||||
```
|
||||
|
||||
### 测试流程
|
||||
|
||||
```bash
|
||||
cd /home/fmq/program/tlusty/tl208-s54/rust/tests/tlusty
|
||||
|
||||
# 创建测试目录
|
||||
mkdir -p test_extracted
|
||||
cd test_extracted
|
||||
cp ../hhe/*.5 .
|
||||
ln -sf $TLUSTY/data data
|
||||
|
||||
# 设置环境变量
|
||||
export TL208=/home/fmq/program/tlusty
|
||||
export TLUSTY=$TL208/tl208-s54
|
||||
export LINELIST=$TL208/linelist
|
||||
export IRON=$TL208/irondata
|
||||
export OPTABLES=$TL208/optables
|
||||
|
||||
# 可执行文件路径
|
||||
EXE=../../tlusty/extracted/build/tlusty_extracted
|
||||
|
||||
# 测试1: LTE 模型 (从零开始)
|
||||
$EXE < hhe35lt.5 > hhe35lt.6
|
||||
cp fort.7 hhe35lt.7; cp fort.9 hhe35lt.9; cp fort.14 hhe35lt.14
|
||||
|
||||
# 测试2: NLTE continua (使用 LTE 作为初始模型)
|
||||
cp hhe35lt.7 fort.8
|
||||
$EXE < hhe35nc.5 > hhe35nc.6
|
||||
cp fort.7 hhe35nc.7; cp fort.9 hhe35nc.9; cp fort.14 hhe35nc.14
|
||||
|
||||
# 测试3: NLTE with lines (使用 NC 作为初始模型)
|
||||
cp hhe35nc.7 fort.8
|
||||
$EXE < hhe35nl.5 > hhe35nl.6
|
||||
cp fort.7 hhe35nl.7; cp fort.9 hhe35nl.9; cp fort.14 hhe35nl.14
|
||||
|
||||
# 验证: 与原始结果比较
|
||||
diff hhe35lt.7 ../hhe/hhe35lt.7
|
||||
diff hhe35nc.7 ../hhe/hhe35nc.7
|
||||
diff hhe35nl.7 ../hhe/hhe35nl.7
|
||||
```
|
||||
|
||||
### 测试结果
|
||||
|
||||
| 测试用例 | 拆分编译 | 直接编译 | 原始结果 |
|
||||
|----------|----------|----------|----------|
|
||||
| hhe35lt (LTE) | ✓ 通过 | ✓ 通过 | ✓ 相同 |
|
||||
| hhe35nc (NLTE continua) | ✓ 通过 | ✓ 通过 | ✓ 相同 |
|
||||
| hhe35nl (NLTE lines) | ✓ 通过 | ✓ 通过 | ✓ 相同 |
|
||||
|
||||
**MD5 校验和 (hhe35nl.7)**:
|
||||
```
|
||||
01f3169947ca24bf1c989619b83ae8f2
|
||||
```
|
||||
|
||||
**结论**: 拆分编译与直接编译输出完全相同，功能验证通过
|
||||
|
||||
---
|
||||
|
||||
## SYNSPEC54 功能验证测试 (2026-03-19)
|
||||
|
||||
### 测试目录
|
||||
|
||||
```
|
||||
tests/synspec/hhe/
|
||||
├── hhe35nl.5 # 输入文件
|
||||
├── hhe35nl.7 # 模型大气 (来自 TLUSTY 测试)
|
||||
├── fort.55.con # 附加输入文件
|
||||
├── data # 数据目录路径文件 (内容: $TLUSTY/data)
|
||||
└── results/ # 预期输出
|
||||
├── hhe35nl.spec # 合成光谱
|
||||
├── hhe35nl.cont # 连续谱
|
||||
└── hhe35nl.iden # 谱线标识
|
||||
```
|
||||
|
||||
### 测试流程
|
||||
|
||||
```bash
|
||||
cd /home/fmq/program/tlusty/tl208-s54/rust/tests/synspec/hhe
|
||||
|
||||
# 设置环境变量
|
||||
export TL208=/home/fmq/program/tlusty
|
||||
export TLUSTY=$TL208/tl208-s54
|
||||
export LINELIST=$TL208/linelist
|
||||
export IRON=$TL208/irondata
|
||||
export OPTABLES=$TL208/optables
|
||||
|
||||
# 准备输入文件
|
||||
cp hhe35nl.7 fort.8
|
||||
ln -sf fort.55.con fort.55
|
||||
ln -sf $TLUSTY/data/gfATO.dat fort.19
|
||||
|
||||
# 关键: data 必须是符号链接指向数据目录
|
||||
rm -f data
|
||||
ln -sf $TLUSTY/data data
|
||||
|
||||
# 可执行文件路径
|
||||
EXE_ORIG=$TLUSTY/synspec/synspec.exe
|
||||
EXE_DIRECT=../../synspec/synspec_direct.exe
|
||||
EXE_EXTRACTED=../../synspec/extracted/build/synspec_extracted
|
||||
|
||||
# 测试原始版本
|
||||
$EXE_ORIG < hhe35nl.5 > hhe35nl_orig.log
|
||||
cp fort.7 hhe35nl_orig.spec; cp fort.17 hhe35nl_orig.cont
|
||||
|
||||
# 测试直接编译版本
|
||||
rm -f fort.7 fort.17 fort.12
|
||||
$EXE_DIRECT < hhe35nl.5 > hhe35nl_direct.log
|
||||
cp fort.7 hhe35nl_direct.spec; cp fort.17 hhe35nl_direct.cont
|
||||
|
||||
# 测试拆分编译版本
|
||||
rm -f fort.7 fort.17 fort.12
|
||||
$EXE_EXTRACTED < hhe35nl.5 > hhe35nl_extracted.log
|
||||
cp fort.7 hhe35nl_extracted.spec; cp fort.17 hhe35nl_extracted.cont
|
||||
|
||||
# 验证
|
||||
diff hhe35nl_orig.spec hhe35nl_direct.spec
|
||||
diff hhe35nl_orig.spec hhe35nl_extracted.spec
|
||||
|
||||
# 恢复 data 文件
|
||||
rm -f data
|
||||
echo "/home/fmq/program/tlusty/tl208-s54/data" > data
|
||||
```
|
||||
|
||||
### 测试结果
|
||||
|
||||
| 测试用例 | 原始程序 | 直接编译 | 拆分编译 |
|
||||
|----------|----------|----------|----------|
|
||||
| hhe35nl (NLTE lines) | ✓ 通过 | ✓ 通过 | ✓ 相同 |
|
||||
|
||||
**MD5 校验和 (hhe35nl.spec)**:
|
||||
```
|
||||
7925533b21b16d6bcdfff40e626cab83
|
||||
```
|
||||
|
||||
**注意事项**:
|
||||
- `data` 文件/符号链接必须正确设置，否则报错 `Cannot open file './data/h1.dat': Not a directory`
|
||||
- 拆分编译程序与原始程序输出完全相同，功能验证通过
|
||||
@ -1,302 +0,0 @@
|
||||
#!/usr/bin/env python3
|
||||
"""
|
||||
提取 synspec54.f 中的各个子程序/函数到独立文件
|
||||
"""
|
||||
import re
|
||||
import os
|
||||
import sys
|
||||
from pathlib import Path
|
||||
|
||||
def extract_units(source_file, output_dir):
|
||||
"""提取 Fortran 程序单元到独立文件"""
|
||||
|
||||
with open(source_file, 'r') as f:
|
||||
content = f.read()
|
||||
lines = content.split('\n')
|
||||
|
||||
# 创建输出目录
|
||||
os.makedirs(output_dir, exist_ok=True)
|
||||
|
||||
# 匹配程序单元开始的正则表达式
|
||||
# 注意: BLOCK DATA 和 PROGRAM 可以是无名的
|
||||
# 使用 \s* 允许名称前没有空格（无名情况）
|
||||
unit_pattern = re.compile(
|
||||
r'^\s*('
|
||||
r'SUBROUTINE\s+(\w+)|'
|
||||
r'FUNCTION\s+(\w+)|'
|
||||
r'PROGRAM\s*(\w*)|'
|
||||
r'BLOCK\s+DATA\s*(\w*)'
|
||||
r')',
|
||||
re.IGNORECASE
|
||||
)
|
||||
|
||||
# 找到所有单元的起始位置
|
||||
units = []
|
||||
for i, line in enumerate(lines):
|
||||
match = unit_pattern.match(line)
|
||||
if match:
|
||||
groups = match.groups()
|
||||
# groups: (整体匹配, SUBROUTINE名, FUNCTION名, PROGRAM名, BLOCK DATA名)
|
||||
|
||||
if groups[1]: # SUBROUTINE
|
||||
name, unit_type = groups[1], 'SUBROUTINE'
|
||||
elif groups[2]: # FUNCTION
|
||||
name, unit_type = groups[2], 'FUNCTION'
|
||||
elif groups[3]: # PROGRAM (非空)
|
||||
name, unit_type = groups[3], 'PROGRAM'
|
||||
elif groups[3] is not None: # PROGRAM (空字符串，无名)
|
||||
name, unit_type = None, 'PROGRAM'
|
||||
elif groups[4]: # BLOCK DATA (非空)
|
||||
name, unit_type = groups[4], 'BLOCK DATA'
|
||||
elif groups[4] is not None: # BLOCK DATA (空字符串，无名)
|
||||
name, unit_type = None, 'BLOCK DATA'
|
||||
else:
|
||||
name, unit_type = None, 'UNKNOWN'
|
||||
|
||||
# 处理无名单元
|
||||
if not name:
|
||||
name = f"_UNNAMED_{unit_type.replace(' ', '_')}_"
|
||||
|
||||
units.append((i, name.upper(), unit_type))
|
||||
|
||||
print(f"找到 {len(units)} 个程序单元")
|
||||
|
||||
# 提取每个单元
|
||||
extracted = []
|
||||
for idx, (start_line, name, unit_type) in enumerate(units):
|
||||
# 确定结束位置
|
||||
if idx + 1 < len(units):
|
||||
end_line = units[idx + 1][0]
|
||||
else:
|
||||
end_line = len(lines)
|
||||
|
||||
# 提取单元内容
|
||||
unit_lines = lines[start_line:end_line]
|
||||
|
||||
# 查找实际的 END 语句
|
||||
actual_end = end_line
|
||||
for i in range(len(unit_lines) - 1, -1, -1):
|
||||
if re.match(r'^\s*END\s*$', unit_lines[i], re.IGNORECASE):
|
||||
actual_end = start_line + i + 1
|
||||
break
|
||||
|
||||
unit_content = '\n'.join(lines[start_line:actual_end])
|
||||
|
||||
# 写入文件
|
||||
filename = f"{name.lower()}.f"
|
||||
filepath = os.path.join(output_dir, filename)
|
||||
|
||||
with open(filepath, 'w') as f:
|
||||
f.write(unit_content)
|
||||
if not unit_content.endswith('\n'):
|
||||
f.write('\n')
|
||||
|
||||
extracted.append({
|
||||
'name': name,
|
||||
'type': unit_type,
|
||||
'file': filename,
|
||||
'start': start_line + 1,
|
||||
'end': actual_end,
|
||||
'lines': actual_end - start_line
|
||||
})
|
||||
print(f" 提取: {name} ({unit_type}) -> {filename} ({actual_end - start_line} 行)")
|
||||
|
||||
# 生成摘要文件
|
||||
summary_path = os.path.join(output_dir, '_SUMMARY.txt')
|
||||
with open(summary_path, 'w') as f:
|
||||
f.write(f"SYNSPEC54.F 提取摘要\n")
|
||||
f.write(f"{'='*60}\n\n")
|
||||
f.write(f"源文件: {source_file}\n")
|
||||
f.write(f"总单元数: {len(extracted)}\n")
|
||||
f.write(f"总行数: {len(lines)}\n\n")
|
||||
|
||||
f.write(f"{'名称':<20} {'类型':<12} {'文件':<20} {'行数':>8}\n")
|
||||
f.write(f"{'-'*60}\n")
|
||||
for unit in extracted:
|
||||
f.write(f"{unit['name']:<20} {unit['type']:<12} {unit['file']:<20} {unit['lines']:>8}\n")
|
||||
|
||||
# 按类型统计
|
||||
types = {}
|
||||
for unit in extracted:
|
||||
types[unit['type']] = types.get(unit['type'], 0) + 1
|
||||
f.write(f"\n按类型统计:\n")
|
||||
for t, c in types.items():
|
||||
f.write(f" {t}: {c}\n")
|
||||
|
||||
print(f"\n摘要已保存到: {summary_path}")
|
||||
return extracted
|
||||
|
||||
def analyze_commons(output_dir):
|
||||
"""分析 COMMON 块依赖"""
|
||||
# 命名COMMON块: COMMON /NAME/ ...
|
||||
named_common_pattern = re.compile(r'COMMON\s*/\s*(\w+)\s*/', re.IGNORECASE)
|
||||
# 空白COMMON块: COMMON varname (不带斜杠)
|
||||
blank_common_pattern = re.compile(r'^\s*COMMON\s+[A-Z]', re.IGNORECASE | re.MULTILINE)
|
||||
include_pattern = re.compile(r'INCLUDE\s*[\'"]([^\'"]+)[\'"]', re.IGNORECASE)
|
||||
|
||||
commons = {}
|
||||
includes = {}
|
||||
|
||||
for filepath in Path(output_dir).glob('*.f'):
|
||||
if filepath.name.startswith('_'):
|
||||
continue
|
||||
|
||||
with open(filepath, 'r') as f:
|
||||
content = f.read()
|
||||
|
||||
unit_name = filepath.stem.upper()
|
||||
found_commons = named_common_pattern.findall(content)
|
||||
found_includes = include_pattern.findall(content)
|
||||
|
||||
# 检查空白COMMON块
|
||||
if blank_common_pattern.search(content):
|
||||
found_commons.append('BLANK') # 添加空白COMMON块标识
|
||||
|
||||
if found_commons:
|
||||
commons[unit_name] = list(set(found_commons))
|
||||
if found_includes:
|
||||
includes[unit_name] = list(set(found_includes))
|
||||
|
||||
# 写入 COMMON 分析
|
||||
common_path = os.path.join(output_dir, '_COMMON_ANALYSIS.txt')
|
||||
with open(common_path, 'w') as f:
|
||||
f.write("COMMON 块依赖分析\n")
|
||||
f.write(f"{'='*60}\n\n")
|
||||
|
||||
f.write("有 COMMON 依赖的单元:\n")
|
||||
f.write(f"{'-'*60}\n")
|
||||
for unit, common_list in sorted(commons.items()):
|
||||
f.write(f"{unit}: {', '.join(common_list)}\n")
|
||||
|
||||
f.write(f"\n共 {len(commons)} 个单元有 COMMON 依赖\n")
|
||||
f.write(f"共 {len([u for u in commons.values()])} 个 COMMON 块被引用\n")
|
||||
|
||||
# 找出所有唯一的 COMMON 块
|
||||
all_commons = set()
|
||||
for c in commons.values():
|
||||
all_commons.update(c)
|
||||
f.write(f"\n唯一的 COMMON 块: {sorted(all_commons)}\n")
|
||||
|
||||
f.write(f"\n\nINCLUDE 文件依赖:\n")
|
||||
f.write(f"{'-'*60}\n")
|
||||
for unit, inc_list in sorted(includes.items()):
|
||||
f.write(f"{unit}: {', '.join(inc_list)}\n")
|
||||
|
||||
print(f"COMMON 分析已保存到: {common_path}")
|
||||
|
||||
# 返回无 COMMON 依赖的纯函数
|
||||
pure_units = []
|
||||
for filepath in Path(output_dir).glob('*.f'):
|
||||
if filepath.name.startswith('_'):
|
||||
continue
|
||||
unit_name = filepath.stem.upper()
|
||||
if unit_name not in commons:
|
||||
pure_units.append(unit_name)
|
||||
|
||||
return pure_units, commons, includes
|
||||
|
||||
def generate_makefile(output_dir, extracted, source_file):
|
||||
"""生成 Makefile 用于编译所有提取的文件"""
|
||||
|
||||
# 根据源文件名确定程序名称
|
||||
source_name = os.path.basename(source_file).lower()
|
||||
if 'tlusty' in source_name:
|
||||
prog_name = 'tlusty'
|
||||
elif 'synspec' in source_name:
|
||||
prog_name = 'synspec'
|
||||
else:
|
||||
prog_name = os.path.splitext(os.path.basename(source_file))[0].lower()
|
||||
|
||||
makefile_path = os.path.join(output_dir, 'Makefile')
|
||||
with open(makefile_path, 'w') as f:
|
||||
f.write(f"# Makefile for {prog_name.upper()} extracted modules\n")
|
||||
f.write("# 使用大内存模型支持大型 COMMON 数组\n\n")
|
||||
|
||||
f.write("FC = gfortran\n")
|
||||
f.write("FFLAGS = -O3 -fno-automatic -mcmodel=large\n\n")
|
||||
|
||||
f.write("# 编译输出目录\n")
|
||||
f.write("BUILD_DIR = build\n\n")
|
||||
|
||||
f.write("# 目标可执行文件\n")
|
||||
f.write(f"MAIN = $(BUILD_DIR)/{prog_name}_extracted\n\n")
|
||||
|
||||
f.write("# 所有 .f 源文件\n")
|
||||
f.write("SRCS = $(wildcard *.f)\n\n")
|
||||
|
||||
f.write("# 目标文件（放在build目录）\n")
|
||||
f.write("OBJS = $(patsubst %.f,$(BUILD_DIR)/%.o,$(notdir $(SRCS)))\n\n")
|
||||
|
||||
f.write("# 默认目标\n")
|
||||
f.write("all: $(BUILD_DIR) $(MAIN)\n")
|
||||
f.write("\t@echo \"==========================================\"\n")
|
||||
f.write("\t@echo \"编译成功: $(MAIN)\"\n")
|
||||
f.write("\t@echo \"==========================================\"\n\n")
|
||||
|
||||
f.write("# 创建build目录\n")
|
||||
f.write("$(BUILD_DIR):\n")
|
||||
f.write("\tmkdir -p $(BUILD_DIR)\n\n")
|
||||
|
||||
f.write("# 链接所有目标文件\n")
|
||||
f.write("$(MAIN): $(OBJS)\n")
|
||||
f.write("\t$(FC) $(FFLAGS) -o $@ $(OBJS)\n\n")
|
||||
|
||||
f.write("# 编译规则\n")
|
||||
f.write("$(BUILD_DIR)/%.o: %.f | $(BUILD_DIR)\n")
|
||||
f.write("\t$(FC) $(FFLAGS) -c $< -o $@\n\n")
|
||||
|
||||
f.write("# 清理\n")
|
||||
f.write("clean:\n")
|
||||
f.write("\trm -rf $(BUILD_DIR)\n\n")
|
||||
|
||||
f.write("# 只编译不链接（检查语法）\n")
|
||||
f.write("compile-only: $(OBJS)\n")
|
||||
f.write("\t@echo \"所有文件编译完成（未链接）\"\n\n")
|
||||
|
||||
f.write("# 统计信息\n")
|
||||
f.write("stats:\n")
|
||||
f.write("\t@echo \"=== 编译统计 ===\"\n")
|
||||
f.write("\t@echo \"源文件数: $(words $(SRCS))\"\n")
|
||||
f.write("\t@echo \"目标文件数: $(words $(OBJS))\"\n")
|
||||
f.write("\t@wc -l *.f | tail -1\n\n")
|
||||
|
||||
f.write(".PHONY: all clean compile-only stats\n")
|
||||
|
||||
print(f"Makefile 已生成: {makefile_path}")
|
||||
|
||||
def main():
|
||||
if len(sys.argv) < 2:
|
||||
source_file = "/home/fmq/program/tlusty/tl208-s54/rust/synspec/synspec54.f"
|
||||
output_dir = "/home/fmq/program/tlusty/tl208-s54/rust/synspec/extracted"
|
||||
else:
|
||||
source_file = sys.argv[1]
|
||||
output_dir = sys.argv[2] if len(sys.argv) > 2 else "extracted"
|
||||
|
||||
print(f"源文件: {source_file}")
|
||||
print(f"输出目录: {output_dir}\n")
|
||||
|
||||
# 提取单元
|
||||
extracted = extract_units(source_file, output_dir)
|
||||
|
||||
# 分析 COMMON 依赖
|
||||
print("\n分析 COMMON 依赖...")
|
||||
pure_units, commons, includes = analyze_commons(output_dir)
|
||||
|
||||
print(f"\n无 COMMON 依赖的纯函数/子程序: {len(pure_units)} 个")
|
||||
for u in sorted(pure_units):
|
||||
print(f" {u}")
|
||||
|
||||
# 生成 Makefile
|
||||
generate_makefile(output_dir, extracted, source_file)
|
||||
|
||||
# 保存纯函数列表
|
||||
pure_path = os.path.join(output_dir, '_PURE_UNITS.txt')
|
||||
with open(pure_path, 'w') as f:
|
||||
f.write("无 COMMON 依赖的纯函数/子程序\n")
|
||||
f.write(f"{'='*40}\n\n")
|
||||
for u in sorted(pure_units):
|
||||
f.write(f"{u}\n")
|
||||
print(f"\n纯函数列表已保存到: {pure_path}")
|
||||
|
||||
if __name__ == '__main__':
|
||||
main()
|
||||
@ -1,305 +0,0 @@
|
||||
fortran_file,unit_name,unit_type,is_pure,common_deps,call_deps,has_io,rust_module,status
|
||||
_unnamed_block_data_.f,C,BLOCK DATA,False,"BASICS|ATOMIC","",False,,pending
|
||||
accel2.f,ACCEL2,SUBROUTINE,False,"BASICS|ITERAT|MODELQ","",True,,pending
|
||||
accelp.f,ACCELP,SUBROUTINE,False,"BASICS|MODELQ|ITERAT|POPULS","",True,,pending
|
||||
alifr1.f,ALIFR1,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ALIPAR","ALIFR3",False,,pending
|
||||
alifr3.f,ALIFR3,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ALIPAR","",False,src/math/alifr3.rs,done
|
||||
alifr6.f,ALIFR6,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ALIPAR","",False,src/math/alifr6.rs,done
|
||||
alifrk.f,ALIFRK,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ALIPAR","",False,src/math/alifrk.rs,done
|
||||
alisk1.f,ALISK1,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR|ALIPAR|ARRAY1|ITERAT","ALIFRK|ROSSTD|OPACF1|RTEFR1",True,,pending
|
||||
alisk2.f,ALISK2,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR|ALIPAR|ARRAY1|ITERAT","ALIFRK|ROSSTD|OPACF1|RTEFR1",True,,pending
|
||||
alist1.f,ALIST1,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR|ALIPAR|ITERAT","OPACFD|ALIFR1|ROSSTD|RTEFR1",True,,pending
|
||||
alist2.f,ALIST2,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR|ALIPAR|ARRAY1|ITERAT","RTEFR1|ROSSTD|ALIFR1|QUIT|OPACFD",True,,pending
|
||||
allard.f,ALLARD,SUBROUTINE,False,"BASICS|calphatd|callarda|callardc|callardg|callardb|quasun","ALLARDT",True,,pending
|
||||
allardt.f,ALLARDT,SUBROUTINE,False,"BASICS|calphatd","",False,src/math/allardt.rs,done
|
||||
angset.f,ANGSET,SUBROUTINE,True,"BASICS","GAULEG",False,src/math/angset.rs,done
|
||||
betah.f,BETAH,FUNCTION,True,"","BETAH",False,src/math/betah.rs,done
|
||||
bhe.f,BHE,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ARRAY1|ALIPAR","",False,src/math/bhe.rs,done
|
||||
bhed.f,BHED,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ARRAY1|ALIPAR|CMATZD|SURFEX","",False,src/math/bhe.rs,done
|
||||
bhez.f,BHEZ,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ARRAY1|ALIPAR|SURFEX","",False,src/math/bhe.rs,done
|
||||
bkhsgo.f,BKHSGO,SUBROUTINE,True,"","",False,src/math/bkhsgo.rs,done
|
||||
bpop.f,BPOP,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ARRAY1|ALIPAR|ODFPAR|ITERAT","MATINV|BPOPT|BPOPF|LEVSOL|RATMAT|BPOPC|BPOPE|LEVGRP",False,,pending
|
||||
bpopc.f,BPOPC,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ARRAY1|ALIPAR|ODFPAR|ADCHAR","STATE",False,,pending
|
||||
bpope.f,BPOPE,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR|ALIPAR|ITERAT|ARRAY1","SGMER1|DWNFR1",False,,pending
|
||||
bpopf.f,BPOPF,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ARRAY1|ALIPAR|ODFPAR","",False,src/math/bpopf.rs,done
|
||||
bpopt.f,BPOPT,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ARRAY1|ALIPAR|ODFPAR","COLIS",False,,pending
|
||||
bre.f,BRE,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ARRAY1|ALIPAR","COMPT0",False,,pending
|
||||
brez.f,BREZ,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ARRAY1|ALIPAR","COMPT0",False,,pending
|
||||
brte.f,BRTE,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ALIPAR|ARRAY1","COMPT0",False,,pending
|
||||
brtez.f,BRTEZ,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ALIPAR|ARRAY1","COMPT0",False,,pending
|
||||
butler.f,BUTLER,SUBROUTINE,True,"","",False,src/math/butler.rs,done
|
||||
carbon.f,CARBON,SUBROUTINE,True,"","",False,src/math/carbon.rs,done
|
||||
ceh12.f,CEH12,FUNCTION,True,"","CEH12",False,src/math/ceh12.rs,done
|
||||
change.f,CHANGE,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","STEQEQ|READBF",True,,pending
|
||||
chckse.f,CHCKSE,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","SABOLF",True,,pending
|
||||
chctab.f,CHCTAB,SUBROUTINE,False,"BASICS|MODELQ|abntab","",True,,pending
|
||||
cheav.f,CHEAV,FUNCTION,False,"BASICS|ATOMIC","CHEAV|QUIT",True,,pending
|
||||
cheavj.f,CHEAVJ,FUNCTION,False,"BASICS|ATOMIC","QUIT|CHEAVJ",True,,pending
|
||||
cia_h2h.f,CIA_H2H,SUBROUTINE,False,"","LOCATE|IF",True,,pending
|
||||
cia_h2h2.f,CIA_H2H2,SUBROUTINE,False,"","LOCATE|IF",True,,pending
|
||||
cia_h2he.f,CIA_H2HE,SUBROUTINE,False,"","LOCATE|IF",True,,pending
|
||||
cia_hhe.f,CIA_HHE,SUBROUTINE,False,"","LOCATE|IF",True,,pending
|
||||
cion.f,CION,FUNCTION,True,"","CION",False,src/math/cion.rs,done
|
||||
ckoest.f,CKOEST,FUNCTION,True,"BASICS","CKOEST",False,src/math/ckoest.rs,done
|
||||
colh.f,COLH,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","CSPEC|BUTLER|IRC",False,,pending
|
||||
colhe.f,COLHE,SUBROUTINE,False,"BASICS|ATOMIC","COLLHE|CSPEC|IRC",False,,pending
|
||||
colis.f,COLIS,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR|CTRTEMP","CSPEC|COLH|COLHE|IRC",False,,pending
|
||||
collhe.f,COLLHE,SUBROUTINE,True,"","",False,src/math/collhe.rs,done
|
||||
column.f,COLUMN,SUBROUTINE,False,"BASICS|MODELQ|relcor","",True,,pending
|
||||
compt0.f,COMPT0,SUBROUTINE,False,"BASICS|MODELQ|ALIPAR|ITERAT|auxcbc","",False,src/math/compt0.rs,done
|
||||
comset.f,COMSET,SUBROUTINE,False,"BASICS|MODELQ|comgfs|auxcbc","",False,src/math/comset.rs,done
|
||||
concor.f,CONCOR,SUBROUTINE,False,"BASICS|MODELQ","CONOUT",True,,pending
|
||||
conout.f,CONOUT,SUBROUTINE,False,"BASICS|MODELQ|ALIPAR|CUBCON","MEANOP|MEANOPT|CONVEC|OPACF0",True,,pending
|
||||
conref.f,CONREF,SUBROUTINE,False,"BASICS|MODELQ|ARRAY1|imucnn|CUBCON","CONVC1|WNSTOR|STEQEQ|ELDENS|CONVEC|CONOUT",True,,pending
|
||||
contmd.f,CONTMD,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ALIPAR|PRSAUX|CUBCON","MEANOP|WNSTOR|STEQEQ|OPACF0|CONVEC|CONOUT|CUBIC",True,,pending
|
||||
contmp.f,CONTMP,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ALIPAR|ichndm|CUBCON","MEANOP|WNSTOR|STEQEQ|ELDENS|OPACF0|CONVEC|MEANOPT|CONOUT|CUBIC",True,,pending
|
||||
convc1.f,CONVC1,SUBROUTINE,False,"BASICS|CUBCON","TRMDER|TRMDRT",False,,pending
|
||||
convec.f,CONVEC,SUBROUTINE,False,"BASICS|CUBCON","TRMDER|TRMDRT",False,,pending
|
||||
coolrt.f,COOLRT,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR|ALIPAR|ARRAY1|ITERAT|COOLCO","OPACFA|RTEFR1",True,,pending
|
||||
corrwm.f,CORRWM,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","QUIT",True,,pending
|
||||
cross.f,CROSS,FUNCTION,False,"BASICS|ATOMIC|MODELQ","CROSS",False,src/math/cross.rs,done
|
||||
crossd.f,CROSSD,FUNCTION,False,"BASICS|ATOMIC|MODELQ","CROSSD",False,src/math/cross.rs,done
|
||||
cspec.f,CSPEC,SUBROUTINE,False,"BASICS|ATOMIC","QUIT",False,,pending
|
||||
ctdata.f,CTDATA,BLOCK DATA,False,"CTIon|CTRecomb","",False,src/math/ctdata.rs,done
|
||||
cubic.f,CUBIC,SUBROUTINE,False,"BASICS|CUBCON","",False,src/math/cubic.rs,done
|
||||
dielrc.f,DIELRC,SUBROUTINE,True,"","",False,src/math/dielrc.rs,done
|
||||
dietot.f,DIETOT,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","DIELRC",True,,pending
|
||||
divstr.f,DIVSTR,SUBROUTINE,False,"BASICS|MODELQ","",False,src/math/divstr.rs,done
|
||||
dmder.f,DMDER,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|DEPTDR","",False,src/math/dmder.rs,done
|
||||
dmeval.f,DMEVAL,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ITERAT|ARRAY1","",True,,pending
|
||||
dopgam.f,DOPGAM,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","GAMSP",False,src/math/dopgam.rs,done
|
||||
dwnfr.f,DWNFR,SUBROUTINE,False,"BASICS|MODELQ","",False,src/math/dwnfr.rs,done
|
||||
dwnfr0.f,DWNFR0,SUBROUTINE,False,"BASICS|MODELQ","",False,src/math/dwnfr0.rs,done
|
||||
dwnfr1.f,DWNFR1,SUBROUTINE,False,"BASICS|MODELQ","",False,src/math/dwnfr1.rs,done
|
||||
eint.f,EINT,SUBROUTINE,True,"","EXPINX",False,src/math/expint.rs,done
|
||||
elcor.f,ELCOR,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ADCHAR","WNSTOR|STEQEQ|STATE|MOLEQ",True,,pending
|
||||
eldenc.f,ELDENC,SUBROUTINE,False,"BASICS|MODELQ|ATOMIC|eletab|hmolab|eospar","RHONEN|STATE|MOLEQ",True,,pending
|
||||
eldens.f,ELDENS,SUBROUTINE,False,"BASICS|MODELQ|ATOMIC|terden|eospar","ENTENE|STATE|MPARTF|LINEQS|MOLEQ",True,,pending
|
||||
emat.f,EMAT,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ARRAY1|ALIPAR","",False,src/math/emat.rs,done
|
||||
entene.f,ENTENE,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","MPARTF",False,,pending
|
||||
erfcin.f,ERFCIN,FUNCTION,True,"","ERFCIN",False,src/math/erfcx.rs,done
|
||||
erfcx.f,ERFCX,FUNCTION,True,"","ERFCX",False,src/math/erfcx.rs,done
|
||||
expint.f,EXPINT,FUNCTION,True,"","EXPINT",False,src/math/expint.rs,done
|
||||
expinx.f,EXPINX,SUBROUTINE,True,"","",False,src/math/expint.rs,done
|
||||
expo.f,EXPO,FUNCTION,True,"","EXPO",False,src/math/expo.rs,done
|
||||
ffcros.f,FFCROS,FUNCTION,True,"","FFCROS",False,src/math/ffcros.rs,done
|
||||
gami.f,GAMI,FUNCTION,True,"","GAMI",False,src/math/gami.rs,done
|
||||
gamsp.f,GAMSP,SUBROUTINE,True,"BASICS","",False,src/math/gamsp.rs,done
|
||||
gauleg.f,GAULEG,SUBROUTINE,True,"","",False,src/math/gauleg.rs,done
|
||||
gaunt.f,GAUNT,FUNCTION,True,"","GAUNT",False,src/math/gaunt.rs,done
|
||||
getlal.f,GETLAL,SUBROUTINE,False,"BASICS|callardc|callarda|calphatd|callardg|callardb|quasun","",True,,pending
|
||||
getwrd.f,GETWRD,SUBROUTINE,True,"","",False,src/math/getwrd.rs,done
|
||||
gfree0.f,GFREE0,SUBROUTINE,False,"BASICS|MODELQ","",False,src/math/gfree.rs,done
|
||||
gfree1.f,GFREE1,FUNCTION,False,"BASICS|MODELQ","GFREE1",False,src/math/gfree.rs,done
|
||||
gfreed.f,GFREED,SUBROUTINE,False,"BASICS|MODELQ","",False,src/math/gfree.rs,done
|
||||
ghydop.f,GHYDOP,SUBROUTINE,False,"BASICS|MODELQ|ATOMIC|intcfg","",False,src/math/ghydop.rs,done
|
||||
gntk.f,GNTK,FUNCTION,True,"","GNTK",False,src/math/gntk.rs,done
|
||||
gomini.f,GOMINI,SUBROUTINE,False,"BASICS|MODELQ|intcfg","",True,,pending
|
||||
grcor.f,GRCOR,SUBROUTINE,True,"","",False,src/math/grcor.rs,done
|
||||
greyd.f,GREYD,SUBROUTINE,False,"BASICS|MODELQ|ATOMIC|ALIPAR","WNSTOR|RHONEN|STEQEQ|OPACF0|MEANOP",True,,pending
|
||||
gridp.f,GRIDP,SUBROUTINE,True,"BASICS","",False,src/math/gridp.rs,done
|
||||
h2minus.f,H2MINUS,SUBROUTINE,False,"BASICS","LOCATE",True,,pending
|
||||
hction.f,HCTION,FUNCTION,False,"CTRTEMP|CTIon","HCTION",False,src/math/ctdata.rs,done
|
||||
hctrecom.f,HCTRECOM,FUNCTION,False,"CTRTEMP|CTRecomb","HCTRECOM",False,src/math/ctdata.rs,done
|
||||
hedif.f,HEDIF,SUBROUTINE,False,"BASICS|MODELQ|ATOMIC|hediff","",True,,pending
|
||||
hephot.f,HEPHOT,FUNCTION,True,"","HEPHOT",False,src/math/hephot.rs,done
|
||||
hesol6.f,HESOL6,SUBROUTINE,False,"BASICS|MODELQ|PRSAUX","MATINV",False,,pending
|
||||
hesolv.f,HESOLV,SUBROUTINE,False,"BASICS|MODELQ|PRSAUX","MATINV|RHONEN|STEQEQ|WNSTOR",True,,pending
|
||||
hidalg.f,HIDALG,FUNCTION,True,"","HIDALG",False,src/math/hidalg.rs,done
|
||||
ijali2.f,IJALI2,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR","QUIT",True,,pending
|
||||
ijalis.f,IJALIS,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","",True,,pending
|
||||
incldy.f,INCLDY,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","LEVSOL|RATMAT|WNSTOR|QUIT|SABOLF",True,,pending
|
||||
indexx.f,INDEXX,SUBROUTINE,True,"","",False,src/math/indexx.rs,done
|
||||
inicom.f,INICOM,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|comgfs","",False,src/math/inicom.rs,done
|
||||
inifrc.f,INIFRC,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR|ijflar","INDEXX",True,,pending
|
||||
inifrs.f,INIFRS,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR","INDEXX|QUIT",True,,pending
|
||||
inifrt.f,INIFRT,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ijflar","INDEXX",True,,pending
|
||||
inilam.f,INILAM,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ITERAT|ALIPAR","OPACF1|RTEFR1|COLIS|OPAINI|WNSTOR|STEQEQ|SABOLF|ELCOR|RATES1",False,,pending
|
||||
initia.f,INITIA,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ITERAT|ODFPAR|ALIPAR|STRPAR|INUNIT|freqcl","RDATA|RDATAX|OPADD0|STATE|DOPGAM|ODFHYS|INTERP|LINSET|NSTPAR|QUIT|LINSPL|INIFRC|READBF",True,,pending
|
||||
inkul.f,INKUL,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR|COLKUR|LINED","",True,,pending
|
||||
inpdis.f,INPDIS,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ITERAT|ODFPAR|ALIPAR|relcor","GRCOR",True,,pending
|
||||
inpmod.f,INPMOD,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|eospar","LEVSOL|RATMAT|WNSTOR|QUIT|SABOLF|MOLEQ|KURUCZ|INCLDY",True,,pending
|
||||
interp.f,INTERP,SUBROUTINE,True,"BASICS","",False,src/math/interp.rs,done
|
||||
inthyd.f,INTHYD,SUBROUTINE,False,"BASICS|MODELQ","DIVSTR",False,src/math/inthyd.rs,done
|
||||
intlem.f,INTLEM,SUBROUTINE,False,"BASICS|MODELQ","INTHYD",False,src/math/intlem.rs,done
|
||||
intxen.f,INTXEN,SUBROUTINE,False,"BASICS|MODELQ","",False,src/math/intxen.rs,done
|
||||
irc.f,IRC,SUBROUTINE,True,"","EXPINX|SZIRC",False,src/math/irc.rs,done
|
||||
iroset.f,IROSET,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR|LINED","LEVCD|QUIT|INKUL",True,,pending
|
||||
kurucz.f,KURUCZ,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|temlim","LEVSOL|RATMAT|WNSTOR|RHONEN|QUIT|SABOLF|MOLEQ",True,,pending
|
||||
lagran.f,LAGRAN,SUBROUTINE,True,"","",False,src/math/interpolate.rs,done
|
||||
laguer.f,LAGUER,SUBROUTINE,False,"","",True,src/math/laguer.rs,done
|
||||
lemini.f,LEMINI,SUBROUTINE,False,"BASICS|MODELQ","",True,,pending
|
||||
levcd.f,LEVCD,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR|COLKUR","INDEXX|QUIT",True,,pending
|
||||
levgrp.f,LEVGRP,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ITERAT","",False,src/math/levgrp.rs,done
|
||||
levset.f,LEVSET,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","QUIT",False,,pending
|
||||
levsol.f,LEVSOL,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ITERAT","LINEQS",False,src/math/levsol.rs,done
|
||||
lineqs.f,LINEQS,SUBROUTINE,True,"BASICS","",False,src/math/lineqs.rs,done
|
||||
linpro.f,LINPRO,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR|quasun","STARK0|DOPGAM|INTLEM|DIVSTR|INTXEN",False,,pending
|
||||
linsel.f,LINSEL,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR|ALIPAR","OPAINI|QUIT|OPACF1|RTEFR1",True,,pending
|
||||
linset.f,LINSET,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","IJALIS|STARK0|QUIT|DIVSTR",True,,pending
|
||||
linspl.f,LINSPL,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","",False,src/math/linspl.rs,done
|
||||
locate.f,LOCATE,SUBROUTINE,True,"","",False,src/math/locate.rs,done
|
||||
ltegr.f,LTEGR,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","INTERP|WNSTOR|STEQEQ|QUIT|ROSSOP|CONOUT",True,,pending
|
||||
ltegrd.f,LTEGRD,SUBROUTINE,False,"BASICS|MODELQ|FACTRS|CUBCON|TOTJHK|FLXAUX|PRSAUX","TEMPER|INTERP|ZMRHO|WNSTOR|STEQEQ|ELDENS|QUIT|CONOUT",True,,pending
|
||||
lucy.f,LUCY,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR|ITERAT|ALIPAR|ARRAY1","OPACFL|RTEFR1|COLIS|WNSTOR|STEQEQ|SABOLF|ELCOR|OPAINI",True,,pending
|
||||
lymlin.f,LYMLIN,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","STARK0|DIVSTR",True,,pending
|
||||
matcon.f,MATCON,SUBROUTINE,False,"BASICS|MODELQ|ARRAY1|CUBCON","CONVEC",False,,pending
|
||||
matgen.f,MATGEN,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ARRAY1|ALIPAR","BHED|BRTE|BHEZ|BREZ|MATCON|BRTEZ|EMAT|BHE|SABOLF|BPOP|BRE",False,,pending
|
||||
matinv.f,MATINV,SUBROUTINE,True,"BASICS","",False,src/math/matinv.rs,done
|
||||
meanop.f,MEANOP,SUBROUTINE,False,"BASICS|MODELQ|ATOMIC","",False,src/math/meanop.rs,done
|
||||
meanopt.f,MEANOPT,SUBROUTINE,False,"BASICS|MODELQ","OPCTAB",False,,pending
|
||||
minv3.f,MINV3,SUBROUTINE,True,"","",False,src/math/minv3.rs,done
|
||||
moleq.f,MOLEQ,SUBROUTINE,False,"BASICS|MODELQ|ATOMIC|COMFH1|entrop|moldat|eospar|adchar|ioniz2|terden|hmolab","RUSSEL|MPARTF",True,,pending
|
||||
mpartf.f,MPARTF,SUBROUTINE,False,"moldat","",True,,pending
|
||||
newdm.f,NEWDM,SUBROUTINE,False,"BASICS|MODELQ|FACTRS|PRSAUX|FLXAUX","INTERP|TEMPER",True,,pending
|
||||
newdmt.f,NEWDMT,SUBROUTINE,False,"BASICS|MODELQ|FACTRS|PRSAUX|FLXAUX","GRIDP|INTERP|TEMPER",True,,pending
|
||||
newpop.f,NEWPOP,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ITERAT","",True,,pending
|
||||
nstout.f,NSTOUT,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ITERAT|ODFPAR|ALIPAR","QUIT",True,,pending
|
||||
nstpar.f,NSTPAR,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ITERAT|ODFPAR|ALIPAR|imucnn|temlim|adiaba|ifpzpa|derdif|ichndm|ipricr|deridt|hediff|FLXAUX|irwint|moldat|quasun|freqcl|icnrsp","QUIT|GETWRD",True,,pending
|
||||
odf1.f,ODF1,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR","DWNFR|ODFHST|DIVSTR",True,,pending
|
||||
odffr.f,ODFFR,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR","QUIT",False,,pending
|
||||
odfhst.f,ODFHST,SUBROUTINE,False,"BASICS|MODELQ|ODFPAR","",False,src/math/odfhst.rs,done
|
||||
odfhyd.f,ODFHYD,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR","INDEXX|ODFHST|DIVSTR",False,,pending
|
||||
odfhys.f,ODFHYS,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR","IJALIS|STARK0|ODFFR",False,,pending
|
||||
odfmer.f,ODFMER,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR","ODFHYD",False,,pending
|
||||
odfset.f,ODFSET,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR|STFCR","IJALIS|QUIT",True,,pending
|
||||
opacf0.f,OPACF0,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR|ALIPAR|hmolab","GFREE0|DWNFR1|DWNFR0|WNSTOR|LINPRO|SABOLF|SGMER1|OPADD|OPACT1",False,,pending
|
||||
opacf1.f,OPACF1,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR|ALIPAR|ipricr|hmolab","QUASIM|GHYDOP|DWNFR1|LYMLIN|SGMER1|OPADD|PRD|OPACT1",True,,pending
|
||||
opacfa.f,OPACFA,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR|ALIPAR|COOLCO","SGMER1|OPADD|PRD|DWNFR1",False,,pending
|
||||
opacfd.f,OPACFD,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR|ALIPAR|ARRAY1|ITERAT|dsctva|hmolab|rhoder","OPACTD|QUASIM|DWNFR1|LYMLIN|OPCTAB|SGMER1|OPADD|PRD|GFREED",True,,pending
|
||||
opacfl.f,OPACFL,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR|ALIPAR","SGMER1|OPADD|DWNFR1",False,,pending
|
||||
opact1.f,OPACT1,SUBROUTINE,False,"BASICS|MODELQ|ALIPAR|hmolab","OPCTAB",False,,pending
|
||||
opactd.f,OPACTD,SUBROUTINE,False,"BASICS|MODELQ|ALIPAR|ARRAY1|ITERAT|dsctva|hmolab|rhoder","OPCTAB",False,,pending
|
||||
opactr.f,OPACTR,SUBROUTINE,False,"BASICS|MODELQ|ALIPAR|ATOMIC|dsctva|hmolab|grdpra","RATMAL|OPACF1|LEVSOL|WNSTOR|STEQEQ|ELDENS|SABOLF|OPAINI|PGSET",False,,pending
|
||||
opadd.f,OPADD,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|eospar","CIA_H2H|CIA_H2HE|CIA_HHE|H2MINUS|CIA_H2H2",False,,pending
|
||||
opadd0.f,OPADD0,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","QUIT",False,,pending
|
||||
opahst.f,OPAHST,SUBROUTINE,False,"BASICS|ODFPAR","STARK0",True,,pending
|
||||
opaini.f,OPAINI,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR|ALIPAR","DWNFR0|REFLEV|WNSTOR|LINPRO|SABOLF|LEVGRP",False,,pending
|
||||
opctab.f,OPCTAB,SUBROUTINE,False,"BASICS|MODELQ","RAYLEIGH",False,,pending
|
||||
opdata.f,OPDATA,SUBROUTINE,False,"TOPB","",True,,pending
|
||||
opfrac.f,OPFRAC,SUBROUTINE,False,"pfoptb","",True,,pending
|
||||
osccor.f,OSCCOR,SUBROUTINE,False,"BASICS|MODELQ|ITERAT","",True,,pending
|
||||
outpri.f,OUTPRI,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ARRAY1|grdpra","RATMAL|OPACF1|LEVSOL|WNSTOR|SABOLF",True,,pending
|
||||
output.f,OUTPUT,SUBROUTINE,False,"BASICS|MODELQ","",True,,pending
|
||||
partf.f,PARTF,SUBROUTINE,False,"BASICS|irwint|PFSTDS","PFFE|PFNI|OPFRAC|MPARTF|PFHEAV|PFSPEC|PFCNO",False,,pending
|
||||
pfcno.f,PFCNO,SUBROUTINE,True,"BASICS","",False,src/math/pfcno.rs,done
|
||||
pffe.f,PFFE,SUBROUTINE,True,"","",False,src/math/pffe.rs,done
|
||||
pfheav.f,PFHEAV,SUBROUTINE,False,"","",True,,pending
|
||||
pfni.f,PFNI,SUBROUTINE,True,"","",False,src/math/pfni.rs,done
|
||||
pfspec.f,PFSPEC,SUBROUTINE,True,"","",False,src/math/pfspec.rs,done
|
||||
pgset.f,PGSET,SUBROUTINE,False,"BASICS|ITERAT|MODELQ|rybpgs|grdpra","TRIDAG",True,,pending
|
||||
prchan.f,PRCHAN,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ITERAT","",True,,pending
|
||||
prd.f,PRD,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ITERAT","DOPGAM",False,,pending
|
||||
prdini.f,PRDINI,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","",False,src/math/prdini.rs,done
|
||||
princ.f,PRINC,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ALIPAR","LINPRO|DWNFR|OPACF1|SABOLF",True,,pending
|
||||
prnt.f,PRNT,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","SABOLF",True,,pending
|
||||
profil.f,PROFIL,FUNCTION,False,"BASICS|ATOMIC|MODELQ|quasun","PROFIL|STARK0|DIVSTR",False,src/math/profil.rs,done
|
||||
profsp.f,PROFSP,FUNCTION,False,"BASICS|ATOMIC|MODELQ","PROFSP|SABOLF",False,,pending
|
||||
prsent.f,PRSENT,SUBROUTINE,False,"tdflag|tdedge|THERM|TABLTD","",True,,pending
|
||||
psolve.f,PSOLVE,SUBROUTINE,False,"BASICS|MODELQ","",False,src/math/psolve.rs,done
|
||||
pzert.f,PZERT,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","",False,src/math/pzert.rs,done
|
||||
pzeval.f,PZEVAL,SUBROUTINE,False,"BASICS|MODELQ|ALIPAR|icnrsp","CONOUT",True,,pending
|
||||
pzevld.f,PZEVLD,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ALIPAR|ARRAY1|ifpzpa|PRSAUX|grdpra|DEPTDR","",False,src/math/pzevld.rs,done
|
||||
quartc.f,QUARTC,SUBROUTINE,False,"","",True,src/math/quartc.rs,done
|
||||
quasim.f,QUASIM,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|quasun","ALLARD",False,,pending
|
||||
quit.f,QUIT,SUBROUTINE,False,"","",True,src/math/quit.rs,done
|
||||
radpre.f,RADPRE,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR|ALIPAR","QUIT|INDEXX|OPACF1|RTEFR1",True,,pending
|
||||
radtot.f,RADTOT,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR|ALIPAR|ITERAT|OPTDPT|TOTJHK|SURFEX","OPAINI|OPACF1|RTEFR1",False,,pending
|
||||
raph.f,RAPH,FUNCTION,True,"","RAPH",False,src/math/raph.rs,done
|
||||
rates1.f,RATES1,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR|ALIPAR|ITERAT","ROSSTD|OPACF1|RTEFR1",False,,pending
|
||||
ratmal.f,RATMAL,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","",False,src/math/ratmal.rs,done
|
||||
ratmat.f,RATMAT,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","REFLEV",False,,pending
|
||||
ratsp1.f,RATSP1,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR|ALIPAR|ARRAY1|ITERAT","ROSSTD|OPACF1|RTEFR1",True,,pending
|
||||
rayini.f,RAYINI,SUBROUTINE,False,"BASICS|MODELQ|ATOMIC","RAYLEIGH",True,,pending
|
||||
rayleigh.f,RAYLEIGH,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|RAYSCT|eospar","",False,src/math/rayleigh.rs,done
|
||||
rayset.f,RAYSET,SUBROUTINE,False,"BASICS|MODELQ","",False,src/math/rayset.rs,done
|
||||
rdata.f,RDATA,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ITERAT|ODFPAR|ALIPAR|STRPAR|INUNIT|imodlc","RDATAX|LINSET|QUIT|DOPGAM",True,,pending
|
||||
rdatax.f,RDATAX,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","BKHSGO",True,,pending
|
||||
readbf.f,READBF,SUBROUTINE,False,"BASICS","",True,,pending
|
||||
rechck.f,RECHCK,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","OPACF1|RTEFR1",True,,pending
|
||||
reflev.f,REFLEV,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ITERAT","",False,,pending
|
||||
reiman.f,REIMAN,FUNCTION,True,"","REIMAN",False,src/math/reiman.rs,done
|
||||
resolv.f,RESOLV,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ITERAT|ALIPAR|ARRAY1|icnrsp","NEWPOP|TAUFR1|TIMING|OPACF1|RTEFR1|ROSSTD|STEQEQ|CONOUT|ELCOR|OPAINI|RATES1|PRD",True,,pending
|
||||
rhoeos.f,RHOEOS,FUNCTION,False,"BASICS|MODELQ","PRSENT|RHOEOS",False,,pending
|
||||
rhonen.f,RHONEN,SUBROUTINE,False,"BASICS|MODELQ","ELDENS",False,,pending
|
||||
rhsgen.f,RHSGEN,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ARRAY1|ALIPAR|CUBCON","MATINV|STATE|RATMAT|COMPT0|SABOLF|CONVEC|LEVGRP",False,,pending
|
||||
rossop.f,ROSSOP,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ALIPAR","WNSTOR|STEQEQ|ELDENS|OPACF0|MEANOP|MEANOPT",False,,pending
|
||||
rosstd.f,ROSSTD,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ITERAT|ALIPAR","",True,,pending
|
||||
rte_sc.f,RTE_SC,SUBROUTINE,True,"BASICS","",False,src/math/rte_sc.rs,done
|
||||
rteang.f,RTEANG,SUBROUTINE,False,"BASICS|MODELQ|ALIPAR|EXTINT|SURFEX","GAULEG",False,,pending
|
||||
rtecf0.f,RTECF0,SUBROUTINE,False,"BASICS|MODELQ|ALIPAR|ITERAT|OPTDPT|auxcbc|AUXRTE","",False,,pending
|
||||
rtecf1.f,RTECF1,SUBROUTINE,False,"BASICS|MODELQ|ALIPAR|ITERAT|OPTDPT|comgfs|AUXRTE|EXTINT|SURFEX","RTEFE2|RTESOL|RTECF0",True,,pending
|
||||
rtecmc.f,RTECMC,SUBROUTINE,False,"BASICS|MODELQ|ALIPAR|ITERAT|comgfs|AUXRTE","MATINV|OPACF1|RTECF0",False,,pending
|
||||
rtecmu.f,RTECMU,SUBROUTINE,False,"BASICS|MODELQ|ALIPAR|ITERAT|OPTDPT|AUXRTE","RTESOL|OPACF1|RTECF0|GAULEG",True,,pending
|
||||
rtecom.f,RTECOM,SUBROUTINE,False,"BASICS|MODELQ|ALIPAR|ITERAT|OPTDPT|comgfs|AUXRTE","OPACF1|RTECF0|RTECF1",False,,pending
|
||||
rtedf1.f,RTEDF1,SUBROUTINE,False,"BASICS|MODELQ|ALIPAR|OPTDPT","",False,src/math/rtedf1.rs,done
|
||||
rtedf2.f,RTEDF2,SUBROUTINE,False,"BASICS|MODELQ|ALIPAR","",False,,pending
|
||||
rtefe2.f,RTEFE2,SUBROUTINE,True,"BASICS","",False,src/math/rtefe2.rs,done
|
||||
rtefr1.f,RTEFR1,SUBROUTINE,False,"BASICS|MODELQ|ALIPAR|ITERAT|OPTDPT","MATINV|RTESOL|RTEDF1|RTECF1|RTEDF2|MINV3",True,,pending
|
||||
rteint.f,RTEINT,SUBROUTINE,False,"BASICS|MODELQ|ALIPAR|ITERAT|OPTDPT","MATINV|OPACF1",True,,pending
|
||||
rtesol.f,RTESOL,SUBROUTINE,True,"BASICS","",False,src/math/rtesol.rs,done
|
||||
russel.f,RUSSEL,SUBROUTINE,False,"BASICS|MODELQ|COMFH1","MPARTF",True,,pending
|
||||
rybchn.f,RYBCHN,SUBROUTINE,False,"BASICS|ITERAT|MODELQ|ALIPAR|ARRAY1|rybpgs|grdpra","PGSET|ELDENS",True,,pending
|
||||
rybene.f,RYBENE,SUBROUTINE,False,"BASICS|MODELQ|ALIPAR|ARRAY1|RYBMTX|deridt|CUBCON","CONVEC",False,,pending
|
||||
rybheq.f,RYBHEQ,SUBROUTINE,False,"BASICS|MODELQ|rybpgs|grdpra","OPACF1|RTEFR1|WNSTOR|STEQEQ|ELDENS|ELCOR|OPAINI|PGSET",True,,pending
|
||||
rybmat.f,RYBMAT,SUBROUTINE,False,"BASICS|MODELQ|ALIPAR|ARRAY1|dsctva|RYBMTX","",False,,pending
|
||||
rybsol.f,RYBSOL,SUBROUTINE,False,"BASICS|MODELQ|ATOMIC|ALIPAR|ARRAY1|ITERAT|imodlc|RYBMTX","RYBMAT|RTEFR1|ROSSTD|OPACTR|LINEQS|STEQEQ|ALIFR1|TRIDAG|RYBCHN|OPACFD",True,,pending
|
||||
sabolf.f,SABOLF,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","PARTF",False,,pending
|
||||
sbfch.f,SBFCH,FUNCTION,True,"","SBFCH",False,src/math/sbfch.rs,done
|
||||
sbfhe1.f,SBFHE1,FUNCTION,False,"BASICS|ATOMIC","SBFHE1|QUIT",True,src/math/sbfhe1.rs,done
|
||||
sbfhmi.f,SBFHMI,FUNCTION,True,"","SBFHMI",False,src/math/sbfhmi.rs,done
|
||||
sbfhmi_old.f,SBFHMI_OLD,FUNCTION,True,"","SBFHMI_OLD",False,src/math/sbfhmi_old.rs,done
|
||||
sbfoh.f,SBFOH,FUNCTION,True,"","SBFOH",False,src/math/sbfoh.rs,done
|
||||
setdrt.f,SETDRT,SUBROUTINE,False,"BASICS|MODELQ|RHODER","",False,,pending
|
||||
settrm.f,SETTRM,SUBROUTINE,False,"tdflag|tdedge|THERM|TABLTD","PRSENT",True,,pending
|
||||
sffhmi.f,SFFHMI,FUNCTION,True,"","SFFHMI",False,src/math/sffhmi.rs,done
|
||||
sffhmi_add.f,SFFHMI_ADD,FUNCTION,True,"","SFFHMI_ADD",False,src/math/sffhmi_add.rs,done
|
||||
sghe12.f,SGHE12,FUNCTION,True,"","SGHE12",False,src/math/sghe12.rs,done
|
||||
sgmer0.f,SGMER0,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","",False,src/math/sgmer.rs,done
|
||||
sgmer1.f,SGMER1,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","",False,src/math/sgmer.rs,done
|
||||
sgmerd.f,SGMERD,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","",False,src/math/sgmer.rs,done
|
||||
sigave.f,SIGAVE,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR","",True,,pending
|
||||
sigk.f,SIGK,FUNCTION,False,"BASICS|ATOMIC","SPSIGK|SIGK",False,,pending
|
||||
sigmar.f,SIGMAR,FUNCTION,False,"BASICS","SIGMAR|LAGUER",True,,pending
|
||||
solve.f,SOLVE,SUBROUTINE,False,"BASICS|ITERAT|MODELQ|ARRAY1|ALIPAR|CMATZD","MATINV|PRCHAN|RHSGEN|WNSTOR|MATGEN",True,,pending
|
||||
solves.f,SOLVES,SUBROUTINE,False,"BASICS|ITERAT|MODELQ|ARRAY1|ALIPAR|STOMAT|CMATZD","MATINV|PRCHAN|RHSGEN|WNSTOR|MATGEN",True,,pending
|
||||
spsigk.f,SPSIGK,SUBROUTINE,True,"","CARBON",False,src/math/spsigk.rs,done
|
||||
srtfrq.f,SRTFRQ,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","INDEXX|QUIT",True,,pending
|
||||
stark0.f,STARK0,SUBROUTINE,True,"","",False,src/math/stark0.rs,done
|
||||
starka.f,STARKA,FUNCTION,False,"BASICS|MODELQ","STARKA",False,src/math/starka.rs,done
|
||||
start.f,START,SUBROUTINE,False,"BASICS|hediff","",True,,pending
|
||||
state.f,STATE,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|terden|PFSTDS","OPFRAC|PARTF",True,,pending
|
||||
steqeq.f,STEQEQ,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ITERAT|POPSTR|PPAPAR","LEVSOL|RATMAT|SABOLF|MOLEQ",False,,pending
|
||||
switch.f,SWITCH,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","",True,,pending
|
||||
szirc.f,SZIRC,SUBROUTINE,True,"","EINT",False,src/math/szirc.rs,done
|
||||
tabini.f,TABINI,SUBROUTINE,False,"BASICS|MODELQ|ATOMIC|eletab|abntab|intcff","",True,,pending
|
||||
tabint.f,TABINT,SUBROUTINE,False,"BASICS|MODELQ|ATOMIC|intcff","",False,,pending
|
||||
taufr1.f,TAUFR1,SUBROUTINE,False,"BASICS|MODELQ|ALIPAR|ITERAT|OPTDPT","",False,,pending
|
||||
tdpini.f,TDPINI,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR|ALIPAR","GFREE0",False,src/math/tdpini.rs,done
|
||||
temcor.f,TEMCOR,SUBROUTINE,False,"BASICS|MODELQ|ARRAY1|ALIPAR|CUBCON","MEANOP|WNSTOR|STEQEQ|ELDENS|OPACF0|CONVEC",True,,pending
|
||||
temper.f,TEMPER,SUBROUTINE,False,"BASICS|MODELQ|ALIPAR|FACTRS|PRSAUX|FLXAUX","WNSTOR|TLOCAL|STEQEQ|ELDENS|OPACF0|MEANOP|MEANOPT",True,,pending
|
||||
timing.f,TIMING,SUBROUTINE,False,"","",True,,pending
|
||||
tiopf.f,TIOPF,SUBROUTINE,True,"","",False,src/math/tiopf.rs,done
|
||||
tlocal.f,TLOCAL,SUBROUTINE,False,"BASICS|MODELQ|FACTRS|FLXAUX","QUARTC",False,,pending
|
||||
tlusty.f,TLUSTY,UNKNOWN,False,"BASICS|ITERAT|ALIPAR","TIMING",True,,pending
|
||||
topbas.f,TOPBAS,FUNCTION,False,"TOPB","TOPBAS",True,,pending
|
||||
traini.f,TRAINI,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ODFPAR","",False,src/math/traini.rs,done
|
||||
tridag.f,TRIDAG,SUBROUTINE,True,"","",False,src/math/tridag.rs,done
|
||||
trmder.f,TRMDER,SUBROUTINE,False,"BASICS|derdif|terden|adiaba","ELDENS",False,,pending
|
||||
trmdrt.f,TRMDRT,SUBROUTINE,False,"BASICS|tdedge|CC|tdflag|CONVOUT","PRSENT",False,,pending
|
||||
ubeta.f,UBETA,FUNCTION,True,"","UBETA|LAGRAN",False,src/math/ubeta.rs,done
|
||||
vern16.f,VERN16,FUNCTION,True,"BASICS","VERN16",False,src/math/vern16.rs,done
|
||||
vern18.f,VERN18,FUNCTION,True,"BASICS","VERN18",False,src/math/vern18.rs,done
|
||||
vern20.f,VERN20,FUNCTION,True,"BASICS","VERN20",False,src/math/vern20.rs,done
|
||||
vern26.f,VERN26,FUNCTION,True,"BASICS","VERN26",False,src/math/vern26.rs,done
|
||||
verner.f,VERNER,FUNCTION,False,"BASICS|ATOMIC","QUIT|VERNER",False,src/math/verner.rs,done
|
||||
visini.f,VISINI,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ|ITERAT","",True,,pending
|
||||
voigt.f,VOIGT,FUNCTION,True,"","VOIGT",False,src/math/voigt.rs,done
|
||||
voigte.f,VOIGTE,FUNCTION,True,"","VOIGTE",False,src/math/voigte.rs,done
|
||||
wn.f,WN,FUNCTION,True,"BASICS","WN",False,src/math/wn.rs,done
|
||||
wnstor.f,WNSTOR,SUBROUTINE,False,"BASICS|ATOMIC|MODELQ","",False,src/math/wnstor.rs,done
|
||||
xenini.f,XENINI,SUBROUTINE,False,"BASICS|MODELQ","",True,,pending
|
||||
xk2dop.f,XK2DOP,FUNCTION,True,"","XK2DOP",False,src/math/xk2dop.rs,done
|
||||
yint.f,YINT,FUNCTION,True,"","YINT",False,src/math/interpolate.rs,done
|
||||
ylintp.f,YLINTP,FUNCTION,True,"","YLINTP",False,src/math/ylintp.rs,done
|
||||
zmrho.f,ZMRHO,SUBROUTINE,False,"BASICS|MODELQ","",False,src/math/zmrho.rs,done
|
||||
|
@ -1,434 +0,0 @@
|
||||
#!/usr/bin/env python3
|
||||
"""
|
||||
分析 TLUSTY Fortran 文件，提取函数依赖信息。
|
||||
|
||||
用法:
|
||||
python3 analyze_fortran.py # 输出 CSV（带完整依赖）
|
||||
python3 analyze_fortran.py --tree # 输出依赖树（文本格式）
|
||||
python3 analyze_fortran.py --priority # 输出重构优先级列表
|
||||
"""
|
||||
|
||||
import os
|
||||
import re
|
||||
import glob
|
||||
import argparse
|
||||
from collections import defaultdict
|
||||
|
||||
def extract_includes(content):
|
||||
"""提取 INCLUDE 文件列表"""
|
||||
includes = re.findall(r"INCLUDE\s*'([^']+)\.FOR'", content, re.IGNORECASE)
|
||||
return [inc for inc in includes if inc.upper() != 'IMPLIC']
|
||||
|
||||
def extract_commons(content):
|
||||
"""提取 COMMON 块名称"""
|
||||
# 匹配 COMMON/NAME/ 或 common/name/
|
||||
commons = re.findall(r'(?i)^\s*COMMON\s*/(\w+)/', content, re.MULTILINE)
|
||||
return list(set(commons))
|
||||
|
||||
# Fortran 内置函数列表（不需要追踪）
|
||||
FORTRAN_INTRINSICS = {
|
||||
'SIN', 'COS', 'TAN', 'ASIN', 'ACOS', 'ATAN', 'ATAN2',
|
||||
'SINH', 'COSH', 'TANH',
|
||||
'EXP', 'LOG', 'LOG10', 'LOG2',
|
||||
'SQRT', 'ABS', 'MOD', 'SIGN',
|
||||
'MAX', 'MIN', 'MAX0', 'MIN0', 'MAX1', 'MIN1', 'AMAX0', 'AMIN0',
|
||||
'INT', 'IFIX', 'IDINT', 'FLOAT', 'SNGL', 'DBLE', 'CMPLX',
|
||||
'REAL', 'AIMAG', 'CONJG',
|
||||
'ICHAR', 'CHAR', 'INDEX', 'LEN', 'LGE', 'LGT', 'LLE', 'LLT',
|
||||
'DOT_PRODUCT', 'MATMUL', 'TRANSPOSE', 'RESHAPE',
|
||||
'SIZE', 'SHAPE', 'LBOUND', 'UBOUND',
|
||||
'ALLOCATED', 'ALLOCATE', 'DEALLOCATE',
|
||||
'KIND', 'SELECTED_REAL_KIND', 'SELECTED_INT_KIND',
|
||||
'DIGITS', 'EPSILON', 'HUGE', 'TINY', 'PRECISION', 'RANGE',
|
||||
'FLOOR', 'CEILING', 'NINT', 'ANINT',
|
||||
'ADJUSTL', 'ADJUSTR', 'TRIM', 'REPEAT', 'SCAN', 'VERIFY',
|
||||
'PRESENT', 'ASSOCIATED',
|
||||
# TLUSTY 常用数学函数
|
||||
'ERF', 'ERFC', 'GAMMA', 'LOG_GAMMA',
|
||||
}
|
||||
|
||||
def extract_calls(content, known_functions=None):
|
||||
"""提取 CALL 语句和 FUNCTION 调用
|
||||
|
||||
Args:
|
||||
content: Fortran 源码
|
||||
known_functions: 已知的函数名集合（用于区分函数调用和数组访问）
|
||||
"""
|
||||
calls = set()
|
||||
|
||||
# 1. 提取 CALL 语句（支持有括号和无括号两种形式）
|
||||
# CALL NAME(...) 或 CALL NAME
|
||||
call_stmts = re.findall(r'(?i)CALL\s+(\w+)(?:\s*\(|\s*$|\s*\n)', content)
|
||||
calls.update(c.upper() for c in call_stmts)
|
||||
|
||||
# 2. 提取可能的 FUNCTION 调用
|
||||
if known_functions:
|
||||
# 只匹配已知函数名
|
||||
func_assign = re.findall(r'(?i)=\s*([A-Z][A-Z0-9]*)\s*\(', content)
|
||||
calls.update(f.upper() for f in func_assign
|
||||
if f.upper() in known_functions and f.upper() not in FORTRAN_INTRINSICS)
|
||||
|
||||
func_expr = re.findall(r'(?i)[=(,]\s*([A-Z][A-Z0-9]*)\s*\(', content)
|
||||
calls.update(f.upper() for f in func_expr
|
||||
if f.upper() in known_functions and f.upper() not in FORTRAN_INTRINSICS)
|
||||
|
||||
return list(calls)
|
||||
|
||||
def has_file_io(content):
|
||||
"""检查是否有文件 I/O"""
|
||||
patterns = [
|
||||
r'OPEN\s*\(',
|
||||
r'READ\s*\(\s*\d+',
|
||||
r'WRITE\s*\(\s*\d+',
|
||||
r'write\s*\(',
|
||||
r'read\s*\(',
|
||||
]
|
||||
for p in patterns:
|
||||
if re.search(p, content, re.IGNORECASE):
|
||||
return True
|
||||
return False
|
||||
|
||||
def extract_unit_info(content, filename):
|
||||
"""提取单元信息"""
|
||||
units = []
|
||||
|
||||
# 匹配 SUBROUTINE
|
||||
sub_match = re.search(r'(?i)^\s*SUBROUTINE\s+(\w+)', content, re.MULTILINE)
|
||||
if sub_match:
|
||||
units.append(('SUBROUTINE', sub_match.group(1).upper()))
|
||||
|
||||
# 匹配 FUNCTION
|
||||
func_match = re.search(r'(?i)^\s*(?:REAL(?:\*\d+)?|INTEGER(?:\*\d+)?|DOUBLE\s*PRECISION)?\s*FUNCTION\s+(\w+)', content, re.MULTILINE)
|
||||
if func_match:
|
||||
units.append(('FUNCTION', func_match.group(1).upper()))
|
||||
|
||||
# 匹配 BLOCK DATA
|
||||
block_match = re.search(r'(?i)^\s*BLOCK\s*DATA\s+(\w+)?', content, re.MULTILINE)
|
||||
if block_match:
|
||||
name = block_match.group(1).upper() if block_match.group(1) else '_UNNAMED_'
|
||||
units.append(('BLOCK DATA', name))
|
||||
|
||||
# 如果都没匹配到，使用文件名
|
||||
if not units:
|
||||
base = os.path.splitext(filename)[0]
|
||||
units.append(('UNKNOWN', base.upper()))
|
||||
|
||||
return units
|
||||
|
||||
# 特殊映射：一个 Rust 文件实现多个 Fortran 函数
|
||||
SPECIAL_MAPPINGS = {
|
||||
# Rust 文件名 -> [Fortran 函数名列表]
|
||||
'gfree': ['gfree0', 'gfreed', 'gfree1'],
|
||||
'interpolate': ['yint', 'lagran'],
|
||||
'sgmer': ['sgmer0', 'sgmer1', 'sgmerd'],
|
||||
'ctdata': ['hction', 'hctrecom'],
|
||||
'cross': ['cross', 'crossd'],
|
||||
'expint': ['eint', 'expinx'],
|
||||
'erfcx': ['erfcx', 'erfcin'],
|
||||
'lineqs': ['lineqs', 'lineqs_nr'],
|
||||
'gamsp': ['gamsp'], # alias
|
||||
'bhe': ['bhe', 'bhed', 'bhez'], # 流体静力学平衡方程
|
||||
'comset': ['comset'], # Compton 散射参数设置
|
||||
'ghydop': ['ghydop'], # 氢不透明度 (Gomez 表)
|
||||
'levgrp': ['levgrp'], # 能级分组
|
||||
'profil': ['profil'], # 标准吸收轮廓
|
||||
'linspl': ['linspl'], # 谱线轮廓设置
|
||||
}
|
||||
|
||||
def find_rust_module(fortran_name, rust_dir):
|
||||
"""查找对应的 Rust 模块"""
|
||||
# 先检查直接匹配
|
||||
rust_file = os.path.join(rust_dir, f"{fortran_name}.rs")
|
||||
if os.path.exists(rust_file):
|
||||
return f"src/math/{fortran_name}.rs"
|
||||
|
||||
# 检查特殊映射
|
||||
for rust_mod, fortran_funcs in SPECIAL_MAPPINGS.items():
|
||||
if fortran_name in fortran_funcs:
|
||||
return f"src/math/{rust_mod}.rs"
|
||||
|
||||
return ""
|
||||
|
||||
def get_transitive_deps(unit_name, units_dict, visited=None):
|
||||
"""递归获取所有传递调用依赖"""
|
||||
if visited is None:
|
||||
visited = set()
|
||||
|
||||
if unit_name in visited:
|
||||
return set()
|
||||
|
||||
visited.add(unit_name)
|
||||
|
||||
if unit_name not in units_dict:
|
||||
return set()
|
||||
|
||||
direct_calls = units_dict[unit_name].get('call_deps', [])
|
||||
all_deps = set(direct_calls)
|
||||
|
||||
for dep in direct_calls:
|
||||
all_deps.update(get_transitive_deps(dep, units_dict, visited.copy()))
|
||||
|
||||
return all_deps
|
||||
|
||||
def get_pending_deps(unit_name, units_dict, visited=None):
|
||||
"""获取尚未实现的直接依赖"""
|
||||
if unit_name not in units_dict:
|
||||
return []
|
||||
|
||||
calls = units_dict[unit_name].get('call_deps', [])
|
||||
pending = [d for d in calls if d not in units_dict or units_dict[d].get('status') != 'done']
|
||||
return pending
|
||||
|
||||
def get_transitive_pending_deps(unit_name, units_dict, visited=None):
|
||||
"""递归获取所有传递的未实现依赖"""
|
||||
if visited is None:
|
||||
visited = set()
|
||||
|
||||
if unit_name in visited:
|
||||
return set()
|
||||
|
||||
visited.add(unit_name)
|
||||
|
||||
if unit_name not in units_dict:
|
||||
return set()
|
||||
|
||||
direct_calls = units_dict[unit_name].get('call_deps', [])
|
||||
# 未实现的直接依赖
|
||||
pending_deps = set(d for d in direct_calls if d not in units_dict or units_dict[d].get('status') != 'done')
|
||||
|
||||
# 递归获取所有依赖的未实现依赖
|
||||
for dep in direct_calls:
|
||||
pending_deps.update(get_transitive_pending_deps(dep, units_dict, visited.copy()))
|
||||
|
||||
return pending_deps
|
||||
|
||||
def get_transitive_commons(unit_name, units_dict, visited=None):
|
||||
"""递归获取所有传递 COMMON 依赖"""
|
||||
if visited is None:
|
||||
visited = set()
|
||||
|
||||
if unit_name in visited:
|
||||
return set()
|
||||
|
||||
visited.add(unit_name)
|
||||
|
||||
if unit_name not in units_dict:
|
||||
return set()
|
||||
|
||||
direct_commons = set(units_dict[unit_name].get('common_deps', []))
|
||||
direct_calls = units_dict[unit_name].get('call_deps', [])
|
||||
|
||||
all_commons = direct_commons.copy()
|
||||
|
||||
for dep in direct_calls:
|
||||
all_commons.update(get_transitive_commons(dep, units_dict, visited.copy()))
|
||||
|
||||
return all_commons
|
||||
|
||||
def calculate_depth(unit_name, units_dict, memo=None):
|
||||
"""计算依赖深度（叶子节点深度为0）"""
|
||||
if memo is None:
|
||||
memo = {}
|
||||
|
||||
if unit_name in memo:
|
||||
return memo[unit_name]
|
||||
|
||||
if unit_name not in units_dict:
|
||||
return 0
|
||||
|
||||
calls = units_dict[unit_name].get('call_deps', [])
|
||||
if not calls:
|
||||
memo[unit_name] = 0
|
||||
return 0
|
||||
|
||||
max_dep_depth = 0
|
||||
for dep in calls:
|
||||
if dep != unit_name: # 避免自引用
|
||||
max_dep_depth = max(max_dep_depth, calculate_depth(dep, units_dict, memo))
|
||||
|
||||
depth = max_dep_depth + 1
|
||||
memo[unit_name] = depth
|
||||
return depth
|
||||
|
||||
def print_dependency_tree(unit_name, units_dict, indent=0, visited=None, prefix="", show_pending_count=True):
|
||||
"""打印依赖树（文本格式）"""
|
||||
if visited is None:
|
||||
visited = set()
|
||||
|
||||
if unit_name in visited:
|
||||
print(f"{prefix}[循环引用: {unit_name}]")
|
||||
return
|
||||
|
||||
visited.add(unit_name)
|
||||
|
||||
if unit_name not in units_dict:
|
||||
print(f"{prefix}{unit_name} [未找到/未实现]")
|
||||
return
|
||||
|
||||
unit = units_dict[unit_name]
|
||||
status = unit.get('status', 'pending')
|
||||
status_mark = "✓" if status == "done" else "○"
|
||||
|
||||
# 计算未实现依赖数
|
||||
pending_count = len(get_pending_deps(unit_name, units_dict))
|
||||
pending_str = f" ({pending_count}未实现)" if show_pending_count and pending_count > 0 else ""
|
||||
|
||||
print(f"{prefix}{status_mark} {unit_name}{pending_str}")
|
||||
|
||||
calls = unit.get('call_deps', [])
|
||||
# 按未实现依赖数排序（未实现多的在前，因为更紧迫）
|
||||
pending_sorted = sorted(calls, key=lambda d: -len(get_pending_deps(d, units_dict) if d in units_dict else []))
|
||||
|
||||
for i, dep in enumerate(pending_sorted):
|
||||
is_last = (i == len(pending_sorted) - 1)
|
||||
connector = "└── " if is_last else "├── "
|
||||
print_dependency_tree(dep, units_dict, indent + 1, visited.copy(), prefix + connector, show_pending_count)
|
||||
|
||||
def main():
|
||||
parser = argparse.ArgumentParser(description='分析 TLUSTY Fortran 文件依赖')
|
||||
parser.add_argument('--tree', metavar='UNIT', help='输出指定单元的依赖树')
|
||||
parser.add_argument('--priority', action='store_true', help='输出重构优先级列表')
|
||||
parser.add_argument('--full', action='store_true', help='输出完整传递依赖')
|
||||
args = parser.parse_args()
|
||||
|
||||
extracted_dir = "/home/fmq/program/tlusty/tl208-s54/rust/tlusty/extracted"
|
||||
rust_dir = "/home/fmq/program/tlusty/tl208-s54/rust/src/math"
|
||||
|
||||
# 第一遍：收集所有已定义的 SUBROUTINE 和 FUNCTION 名称
|
||||
all_defined_units = set()
|
||||
fortran_files = sorted(glob.glob(os.path.join(extracted_dir, "*.f")))
|
||||
|
||||
for fpath in fortran_files:
|
||||
with open(fpath, 'r', encoding='utf-8', errors='ignore') as f:
|
||||
content = f.read()
|
||||
units = extract_unit_info(content, os.path.basename(fpath))
|
||||
for unit_type, unit_name in units:
|
||||
all_defined_units.add(unit_name)
|
||||
|
||||
# 第二遍：收集所有单元信息（使用已知函数名来过滤调用）
|
||||
units_dict = {}
|
||||
|
||||
for fpath in fortran_files:
|
||||
fname = os.path.basename(fpath)
|
||||
base_name = os.path.splitext(fname)[0]
|
||||
|
||||
with open(fpath, 'r', encoding='utf-8', errors='ignore') as f:
|
||||
content = f.read()
|
||||
|
||||
includes = extract_includes(content)
|
||||
commons = extract_commons(content)
|
||||
calls = extract_calls(content, known_functions=all_defined_units)
|
||||
io = has_file_io(content)
|
||||
units = extract_unit_info(content, fname)
|
||||
|
||||
is_pure = len(includes) <= 1 and len(commons) == 0 and not io
|
||||
rust_mod = find_rust_module(base_name, rust_dir)
|
||||
status = "done" if rust_mod else "pending"
|
||||
|
||||
for unit_type, unit_name in units:
|
||||
units_dict[unit_name] = {
|
||||
'fortran_file': fname,
|
||||
'unit_type': unit_type,
|
||||
'is_pure': is_pure,
|
||||
'common_deps': includes + commons,
|
||||
'call_deps': calls,
|
||||
'has_io': io,
|
||||
'rust_module': rust_mod,
|
||||
'status': status,
|
||||
}
|
||||
|
||||
# --tree 模式：输出依赖树
|
||||
if args.tree:
|
||||
unit_name = args.tree.upper()
|
||||
if unit_name in units_dict:
|
||||
unit = units_dict[unit_name]
|
||||
trans_pending = get_transitive_pending_deps(unit_name, units_dict)
|
||||
trans_calls = get_transitive_deps(unit_name, units_dict)
|
||||
status_mark = "✓" if unit['status'] == "done" else "○"
|
||||
|
||||
print(f"依赖树: {unit_name} {status_mark}")
|
||||
print("=" * 60)
|
||||
print(f"直接依赖: {len(unit['call_deps'])}, 传递依赖: {len(trans_calls)}, "
|
||||
f"未实现: {len(trans_pending)}")
|
||||
if trans_pending:
|
||||
print(f"未实现依赖: {', '.join(sorted(trans_pending)[:10])}")
|
||||
if len(trans_pending) > 10:
|
||||
print(f" ... 还有 {len(trans_pending) - 10} 个")
|
||||
print("-" * 60)
|
||||
print_dependency_tree(unit_name, units_dict)
|
||||
else:
|
||||
print(f"未找到单元: {unit_name}")
|
||||
# 尝试模糊匹配
|
||||
matches = [u for u in units_dict if args.tree.lower() in u.lower()]
|
||||
if matches:
|
||||
print(f"可能的匹配: {', '.join(matches[:10])}")
|
||||
return
|
||||
|
||||
# --priority 模式：输出重构优先级
|
||||
if args.priority:
|
||||
# 计算每个单元的依赖深度和传递依赖数
|
||||
priority_list = []
|
||||
memo = {}
|
||||
for unit_name, unit in units_dict.items():
|
||||
if unit['status'] == 'done':
|
||||
continue
|
||||
# 跳过无法识别程序单元的文件（如纯注释文件）
|
||||
if unit['unit_type'] == 'UNKNOWN':
|
||||
continue
|
||||
|
||||
depth = calculate_depth(unit_name, units_dict, memo)
|
||||
trans_calls = len(get_transitive_deps(unit_name, units_dict))
|
||||
trans_commons = len(get_transitive_commons(unit_name, units_dict))
|
||||
pending_deps = len(get_pending_deps(unit_name, units_dict))
|
||||
trans_pending = len(get_transitive_pending_deps(unit_name, units_dict))
|
||||
|
||||
priority_list.append({
|
||||
'name': unit_name,
|
||||
'depth': depth,
|
||||
'direct_calls': len(unit['call_deps']),
|
||||
'trans_calls': trans_calls,
|
||||
'direct_commons': len(unit['common_deps']),
|
||||
'trans_commons': trans_commons,
|
||||
'pending_deps': pending_deps,
|
||||
'trans_pending': trans_pending,
|
||||
'has_io': unit['has_io'],
|
||||
'is_pure': unit['is_pure'],
|
||||
})
|
||||
|
||||
# 按优先级排序：无IO > 未实现依赖少 > 深度低
|
||||
priority_list.sort(key=lambda x: (x['has_io'], x['trans_pending'], x['depth'], x['trans_calls']))
|
||||
|
||||
print("重构优先级列表 (优先无IO，按未实现依赖排序)")
|
||||
print("=" * 100)
|
||||
print(f"{'单元名':<20} {'未实现':>6} {'传递未实现':>10} {'深度':>4} {'直接调用':>8} {'传递调用':>8} {'IO':>4}")
|
||||
print("-" * 100)
|
||||
|
||||
for item in priority_list[:100]: # 显示前100个
|
||||
io_mark = "✓" if item['has_io'] else "○"
|
||||
print(f"{item['name']:<20} {item['pending_deps']:>6} {item['trans_pending']:>10} "
|
||||
f"{item['depth']:>4} {item['direct_calls']:>8} {item['trans_calls']:>8} {io_mark:>4}")
|
||||
return
|
||||
|
||||
# 默认模式：输出 CSV（带完整依赖）
|
||||
if args.full:
|
||||
print("fortran_file,unit_name,unit_type,is_pure,common_deps,call_deps,"
|
||||
"trans_commons,trans_calls,has_io,rust_module,status")
|
||||
else:
|
||||
print("fortran_file,unit_name,unit_type,is_pure,common_deps,call_deps,has_io,rust_module,status")
|
||||
|
||||
memo = {}
|
||||
for unit_name, unit in units_dict.items():
|
||||
if args.full:
|
||||
trans_commons = get_transitive_commons(unit_name, units_dict)
|
||||
trans_calls = get_transitive_deps(unit_name, units_dict)
|
||||
print(f"{unit['fortran_file']},{unit_name},{unit['unit_type']},{unit['is_pure']},"
|
||||
f"\"{'|'.join(unit['common_deps'])}\",\"{'|'.join(unit['call_deps'])}\","
|
||||
f"\"{'|'.join(trans_commons)}\",\"{'|'.join(trans_calls)}\","
|
||||
f"{unit['has_io']},{unit['rust_module']},{unit['status']}")
|
||||
else:
|
||||
print(f"{unit['fortran_file']},{unit_name},{unit['unit_type']},{unit['is_pure']},"
|
||||
f"\"{'|'.join(unit['common_deps'])}\",\"{'|'.join(unit['call_deps'])}\","
|
||||
f"{unit['has_io']},{unit['rust_module']},{unit['status']}")
|
||||
|
||||
if __name__ == "__main__":
|
||||
main()
|
||||
@ -1,438 +0,0 @@
|
||||
#!/usr/bin/env python3
|
||||
"""
|
||||
从 Fortran 源文件提取数组数据，生成 Rust data.rs
|
||||
|
||||
用法:
|
||||
python3 scripts/extract_fortran_data.py
|
||||
|
||||
输出: src/data.rs
|
||||
"""
|
||||
|
||||
import re
|
||||
from pathlib import Path
|
||||
|
||||
|
||||
def parse_fortran_file(filepath: Path, global_params: dict = None) -> list[dict]:
|
||||
"""解析单个 Fortran 文件中的数组
|
||||
|
||||
Args:
|
||||
filepath: Fortran 文件路径
|
||||
global_params: 从 include 文件中提取的全局参数表
|
||||
"""
|
||||
if global_params is None:
|
||||
global_params = {}
|
||||
|
||||
with open(filepath, 'r') as f:
|
||||
content = f.read()
|
||||
|
||||
arrays = {}
|
||||
|
||||
# 0. 预处理
|
||||
# 先清理每行的 Fortran 注释 (! 后面的内容)
|
||||
# 同时移除 Fortran 77 风格的注释行 (以 C 或 * 开头)
|
||||
lines = content.split('\n')
|
||||
cleaned_lines = []
|
||||
for line in lines:
|
||||
# Fortran 77 注释行 (第1列是 C, c, *, 或完全空行)
|
||||
if len(line) > 0 and line[0] in 'Cc*':
|
||||
continue # 跳过整行注释
|
||||
# Fortran 90 行内注释
|
||||
if '!' in line:
|
||||
line = line.split('!')[0]
|
||||
cleaned_lines.append(line)
|
||||
|
||||
# 再合并 Fortran 续行 (第6列是 *, +, &, 数字, 或字母)
|
||||
# Fortran 允许使用字母作为续行标记 (A, B, C, ... 用于超过9个续行)
|
||||
merged_lines = []
|
||||
for line in cleaned_lines:
|
||||
# 检查是否是续行 (第6列是 *, +, &, 数字, 或非空格字符)
|
||||
if len(line) >= 6 and line[5] != ' ' and line[5] not in '\n\r\t':
|
||||
# 续行: 追加到上一行 (去掉前6列)
|
||||
if merged_lines:
|
||||
merged_lines[-1] += ' ' + line[6:].strip()
|
||||
else:
|
||||
merged_lines.append(line)
|
||||
content = '\n'.join(merged_lines)
|
||||
|
||||
# 1. 首先解析所有 parameter 语句，建立局部常量表
|
||||
# 合并全局参数和局部参数
|
||||
param_table = dict(global_params) # 复制全局参数
|
||||
param_pattern = r'parameter\s*\(([^)]+)\)'
|
||||
for match in re.finditer(param_pattern, content, re.IGNORECASE):
|
||||
params_str = match.group(1)
|
||||
for param in params_str.split(','):
|
||||
param = param.strip()
|
||||
if '=' in param:
|
||||
name, val = param.split('=', 1)
|
||||
name = name.strip().lower()
|
||||
val = val.strip().lower()
|
||||
# 尝试解析为整数或浮点数
|
||||
try:
|
||||
# 先尝试整数
|
||||
if '.' not in val and 'e' not in val and 'd' not in val:
|
||||
param_table[name] = int(val)
|
||||
else:
|
||||
# 浮点数，转换为整数（用于数组维度）
|
||||
val = val.replace('d', 'e')
|
||||
param_table[name] = int(float(val))
|
||||
except ValueError:
|
||||
pass
|
||||
|
||||
# 2. 解析 dimension 语句
|
||||
# dimension p4a(22), p4b(10,28), adi(nni), ...
|
||||
# 注意: 使用 [ \t] 代替 \s 避免跨行匹配
|
||||
dim_pattern = r'dimension[ \t]+([a-z0-9_,() \t]+)'
|
||||
for match in re.finditer(dim_pattern, content, re.IGNORECASE):
|
||||
dim_str = match.group(1)
|
||||
# 清理 dim_str - 移除可能包含的下一个关键字
|
||||
for keyword in ['\nreal', '\ninteger', '\ncomplex', '\nlogical', '\ncharacter',
|
||||
'\ndimension', '\ndata', '\nparameter', '\nequivalence']:
|
||||
if keyword in dim_str.lower():
|
||||
dim_str = dim_str[:dim_str.lower().find(keyword)]
|
||||
break
|
||||
arr_pattern = r'(\w+)\s*\(([^)]+)\)'
|
||||
for arr_match in re.finditer(arr_pattern, dim_str):
|
||||
name = arr_match.group(1).lower()
|
||||
dims_str = arr_match.group(2)
|
||||
# 解析维度，支持常量和 parameter 变量
|
||||
dims = []
|
||||
valid = True
|
||||
for d in dims_str.split(','):
|
||||
d = d.strip().lower()
|
||||
if d in param_table:
|
||||
dims.append(param_table[d])
|
||||
else:
|
||||
try:
|
||||
dims.append(int(d))
|
||||
except ValueError:
|
||||
valid = False
|
||||
break
|
||||
if valid and dims:
|
||||
arrays[name] = {"name": name, "dims": dims, "data": None, "source": filepath.name}
|
||||
|
||||
# 2.5 解析类型声明中的数组
|
||||
# REAL frac(MR), INTEGER arr(10), REAL*4 arr(10), CHARACTER*10 str(5), etc.
|
||||
# 注意: 使用 [ \t] 代替 \s 避免跨行匹配
|
||||
type_decl_pattern = r'(real(?:\*[\d]+)?|integer(?:\*[\d]+)?|complex(?:\*[\d]+)?|logical(?:\*[\d]+)?|character(?:\*[\d]+)?)[ \t]+([a-z0-9_,() \t]+)'
|
||||
for match in re.finditer(type_decl_pattern, content, re.IGNORECASE):
|
||||
decl_str = match.group(2)
|
||||
# 清理 decl_str - 移除可能包含的下一个类型声明
|
||||
for keyword in ['\nreal', '\ninteger', '\ncomplex', '\nlogical', '\ncharacter',
|
||||
'\ndimension', '\ndata', '\nparameter', '\nequivalence']:
|
||||
if keyword in decl_str.lower():
|
||||
decl_str = decl_str[:decl_str.lower().find(keyword)]
|
||||
break
|
||||
|
||||
# 匹配变量名(维度)
|
||||
arr_pattern = r'(\w+)\s*\(([^)]+)\)'
|
||||
for arr_match in re.finditer(arr_pattern, decl_str):
|
||||
name = arr_match.group(1).lower()
|
||||
if name in arrays:
|
||||
continue # 已有定义
|
||||
dims_str = arr_match.group(2)
|
||||
# 解析维度
|
||||
dims = []
|
||||
valid = True
|
||||
for d in dims_str.split(','):
|
||||
d = d.strip().lower()
|
||||
if d in param_table:
|
||||
dims.append(param_table[d])
|
||||
else:
|
||||
try:
|
||||
dims.append(int(d))
|
||||
except ValueError:
|
||||
valid = False
|
||||
break
|
||||
if valid and dims:
|
||||
arrays[name] = {"name": name, "dims": dims, "data": None, "source": filepath.name}
|
||||
|
||||
# 3. 解析 data 语句 (支持多行)
|
||||
# data name / val1, val2, ... /
|
||||
data_pattern = r'data\s+(\w+)\s*/\s*([^/]+)\s*/'
|
||||
for match in re.finditer(data_pattern, content, re.IGNORECASE | re.DOTALL):
|
||||
name = match.group(1).lower()
|
||||
data_str = match.group(2)
|
||||
|
||||
if name not in arrays:
|
||||
arrays[name] = {"name": name, "dims": [], "data": None, "source": filepath.name}
|
||||
|
||||
values = parse_data_values(data_str)
|
||||
arrays[name]["data"] = values
|
||||
|
||||
# 4. 处理 parameter 语句中的标量常量（用于导出）
|
||||
for match in re.finditer(param_pattern, content, re.IGNORECASE):
|
||||
params_str = match.group(1)
|
||||
for param in params_str.split(','):
|
||||
param = param.strip()
|
||||
if '=' in param:
|
||||
name, val = param.split('=', 1)
|
||||
name = name.strip().lower()
|
||||
val = val.strip().lower()
|
||||
if name not in arrays:
|
||||
try:
|
||||
val = val.replace('d', 'e')
|
||||
arrays[name] = {"name": name, "dims": [], "data": [float(val)], "source": filepath.name, "is_param": True}
|
||||
except ValueError:
|
||||
pass
|
||||
|
||||
return list(arrays.values())
|
||||
|
||||
|
||||
def parse_data_values(data_str: str) -> list[float]:
|
||||
"""解析 DATA 语句中的数值，处理重复语法如 7*1.387"""
|
||||
values = []
|
||||
|
||||
# 清理
|
||||
lines = data_str.split('\n')
|
||||
cleaned_lines = []
|
||||
for line in lines:
|
||||
line = line.strip()
|
||||
if line.startswith('*'):
|
||||
line = line[1:].strip()
|
||||
cleaned_lines.append(line)
|
||||
data_str = ' '.join(cleaned_lines)
|
||||
|
||||
for part in data_str.split(','):
|
||||
part = part.strip()
|
||||
if not part:
|
||||
continue
|
||||
|
||||
# 移除末尾的 / (DATA 语句结束符)
|
||||
part = part.rstrip('/')
|
||||
|
||||
# 处理重复语法: "7*1.387"
|
||||
if '*' in part and not part.startswith('-'):
|
||||
match = re.match(r'(\d+)\s*\*\s*(-?[\d.]+)', part)
|
||||
if match:
|
||||
count = int(match.group(1))
|
||||
val = float(match.group(2))
|
||||
values.extend([val] * count)
|
||||
continue
|
||||
|
||||
try:
|
||||
# 处理 Fortran 科学计数法
|
||||
# 处理 "- 14.2" 这种中间有空格的负数
|
||||
val = part.replace('d', 'e').replace('D', 'e')
|
||||
# 移除负号和数字之间的空格
|
||||
val = re.sub(r'-\s+(\d)', r'-\1', val)
|
||||
# 移除科学计数法中的多余空格 (如 "1.48 e-2" -> "1.48e-2")
|
||||
val = re.sub(r'(\d)\s+([eEdD])', r'\1\2', val)
|
||||
values.append(float(val))
|
||||
except ValueError:
|
||||
pass
|
||||
|
||||
return values
|
||||
|
||||
|
||||
def generate_data_rs(all_arrays: dict[str, list[dict]]) -> str:
|
||||
"""生成 src/data.rs 内容"""
|
||||
lines = []
|
||||
lines.append("//! Fortran 数据数组自动导出")
|
||||
lines.append("//!")
|
||||
lines.append("//! 由 extract_fortran_data.py 自动生成，请勿手动修改")
|
||||
lines.append("")
|
||||
|
||||
# 收集已使用的名称，避免重复
|
||||
used_names = set()
|
||||
|
||||
# 按源文件分组
|
||||
for source, arrays in sorted(all_arrays.items()):
|
||||
# 过滤有数据的数组
|
||||
valid_arrays = [a for a in arrays if a.get("data") and len(a["data"]) > 0]
|
||||
if not valid_arrays:
|
||||
continue
|
||||
|
||||
lines.append(f"// ========== {source} ==========")
|
||||
lines.append("")
|
||||
|
||||
for arr in valid_arrays:
|
||||
base_name = arr["name"].upper()
|
||||
# 清理名称中的特殊字符
|
||||
base_name = re.sub(r'[^A-Z0-9_]', '', base_name)
|
||||
|
||||
# 所有变量都添加文件名前缀，避免命名冲突
|
||||
prefix = Path(source).stem.upper()[:8] # 取文件名前8个字符
|
||||
name = f"{prefix}_{base_name}"
|
||||
|
||||
# 如果加上前缀后仍有冲突，添加序号
|
||||
if name in used_names:
|
||||
counter = 1
|
||||
while f"{name}_{counter}" in used_names:
|
||||
counter += 1
|
||||
name = f"{name}_{counter}"
|
||||
|
||||
used_names.add(name)
|
||||
|
||||
dims = arr["dims"]
|
||||
data = arr["data"]
|
||||
|
||||
if not data:
|
||||
continue
|
||||
|
||||
total_size = len(data)
|
||||
|
||||
# 跳过单值 parameter
|
||||
if arr.get("is_param") and total_size == 1:
|
||||
lines.append(f"/// {arr['name']} (from {source})")
|
||||
lines.append(f"pub const {name}: f64 = {data[0]};")
|
||||
lines.append("")
|
||||
continue
|
||||
|
||||
if len(dims) == 0:
|
||||
# 未知维度，用 Vec 格式输出以便检查
|
||||
lines.append(f"/// {arr['name']} (from {source}, 未知维度，共 {len(data)} 个值)")
|
||||
lines.append(f"pub const {name}: [f64; {len(data)}] = [")
|
||||
for i, val in enumerate(data):
|
||||
if i % 10 == 0:
|
||||
lines.append(" ")
|
||||
lines[-1] += f"{val},"
|
||||
lines.append("];")
|
||||
lines.append("")
|
||||
|
||||
elif len(dims) == 1:
|
||||
# 1D 数组 - 检查数据量是否匹配
|
||||
expected_size = dims[0]
|
||||
if len(data) != expected_size:
|
||||
print(f"警告: {name} 期望 {expected_size} 个值，实际 {len(data)} 个，跳过")
|
||||
continue
|
||||
|
||||
lines.append(f"/// {arr['name']}({dims[0]}) from {source}")
|
||||
lines.append(f"pub const {name}: [f64; {dims[0]}] = [")
|
||||
for i, val in enumerate(data):
|
||||
if i % 10 == 0:
|
||||
lines.append(" ")
|
||||
lines[-1] += f"{val},"
|
||||
lines.append("];")
|
||||
lines.append("")
|
||||
|
||||
elif len(dims) == 2:
|
||||
# 2D 数组 - 直接转换为 Rust 行优先格式
|
||||
nj, ni = dims[0], dims[1]
|
||||
expected_size = nj * ni
|
||||
|
||||
if len(data) < expected_size:
|
||||
print(f"警告: {name} 期望 {expected_size} 个值，实际 {len(data)} 个，跳过")
|
||||
continue
|
||||
|
||||
lines.append(f"/// {arr['name']}({nj}, {ni}) from {source}")
|
||||
lines.append(f"/// 已转换为 Rust 行优先格式")
|
||||
lines.append(f"pub const {name}: [[f64; {ni}]; {nj}] = [")
|
||||
|
||||
# 列优先 → 行优先 转换
|
||||
for j in range(nj):
|
||||
row = []
|
||||
for i in range(ni):
|
||||
idx = j + i * nj # Fortran 列优先索引
|
||||
row.append(str(data[idx]))
|
||||
lines.append(f" [{','.join(row)}],")
|
||||
|
||||
lines.append("];")
|
||||
lines.append("")
|
||||
|
||||
# 不再需要转换函数和 getter，2D 数组直接生成为 const
|
||||
|
||||
return '\n'.join(lines)
|
||||
|
||||
|
||||
def parse_include_files(extracted_dir: Path) -> dict:
|
||||
"""解析 .FOR include 文件中的全局参数"""
|
||||
global_params = {}
|
||||
|
||||
# 扫描 .FOR 文件
|
||||
for for_file in extracted_dir.glob("*.FOR"):
|
||||
try:
|
||||
content = for_file.read_text()
|
||||
except:
|
||||
# 也尝试 tlusty/ 根目录
|
||||
for_file = Path("tlusty") / for_file.name
|
||||
if for_file.exists():
|
||||
content = for_file.read_text()
|
||||
else:
|
||||
continue
|
||||
|
||||
# 清理注释
|
||||
lines = []
|
||||
for line in content.split('\n'):
|
||||
if '!' in line:
|
||||
line = line.split('!')[0]
|
||||
lines.append(line)
|
||||
content = '\n'.join(lines)
|
||||
|
||||
# 解析 parameter 语句
|
||||
param_pattern = r'parameter\s*\(([^)]+)\)'
|
||||
for match in re.finditer(param_pattern, content, re.IGNORECASE):
|
||||
params_str = match.group(1)
|
||||
for param in params_str.split(','):
|
||||
param = param.strip()
|
||||
if '=' in param:
|
||||
name, val = param.split('=', 1)
|
||||
name = name.strip().lower()
|
||||
val = val.strip().lower()
|
||||
try:
|
||||
if '.' not in val and 'e' not in val and 'd' not in val:
|
||||
global_params[name] = int(val)
|
||||
else:
|
||||
val = val.replace('d', 'e')
|
||||
global_params[name] = int(float(val))
|
||||
except ValueError:
|
||||
pass
|
||||
|
||||
return global_params
|
||||
|
||||
|
||||
def main():
|
||||
# 扫描 tlusty/extracted 目录
|
||||
extracted_dir = Path("tlusty/extracted")
|
||||
|
||||
if not extracted_dir.exists():
|
||||
print(f"错误: 目录不存在: {extracted_dir}")
|
||||
return
|
||||
|
||||
# 首先解析 include 文件中的全局参数
|
||||
global_params = parse_include_files(extracted_dir)
|
||||
print(f"从 .FOR include 文件中提取了 {len(global_params)} 个全局参数")
|
||||
|
||||
all_arrays = {}
|
||||
|
||||
# 扫描所有 .f 文件
|
||||
for fortran_file in sorted(extracted_dir.glob("*.f")):
|
||||
arrays = parse_fortran_file(fortran_file, global_params)
|
||||
if arrays:
|
||||
all_arrays[fortran_file.name] = arrays
|
||||
print(f"解析: {fortran_file.name} -> {len(arrays)} 个数组")
|
||||
|
||||
# 统计
|
||||
total_arrays = sum(len(arrs) for arrs in all_arrays.values())
|
||||
arrays_with_data = sum(
|
||||
1 for arrs in all_arrays.values()
|
||||
for a in arrs if a.get("data") and len(a["data"]) > 0
|
||||
)
|
||||
arrays_2d = sum(
|
||||
1 for arrs in all_arrays.values()
|
||||
for a in arrs if len(a.get("dims", [])) == 2 and a.get("data")
|
||||
)
|
||||
|
||||
print()
|
||||
print("=" * 60)
|
||||
print(f"总计: {total_arrays} 个数组, {arrays_with_data} 个有数据, {arrays_2d} 个 2D 数组")
|
||||
print("=" * 60)
|
||||
|
||||
# 生成 data.rs
|
||||
output_path = Path("src/data.rs")
|
||||
rust_code = generate_data_rs(all_arrays)
|
||||
|
||||
with open(output_path, 'w') as f:
|
||||
f.write(rust_code)
|
||||
|
||||
print(f"已生成: {output_path}")
|
||||
print()
|
||||
print("在 lib.rs 或 main.rs 中添加:")
|
||||
print(" pub mod data;")
|
||||
print()
|
||||
print("使用方法:")
|
||||
print(" use crate::data::{TT, PN, get_p4b};")
|
||||
print(" let p4b = get_p4b(); // 自动初始化并返回 2D 数组")
|
||||
|
||||
|
||||
if __name__ == "__main__":
|
||||
main()
|
||||
@ -1,205 +0,0 @@
|
||||
#!/usr/bin/env python3
|
||||
"""
|
||||
将 Fortran DATA 语句转换为 Rust 2D 数组
|
||||
|
||||
用法:
|
||||
python3 scripts/fortran_to_rust_array.py tlusty/extracted/pffe.f
|
||||
|
||||
输出: Rust 代码片段，可直接复制到 .rs 文件中
|
||||
"""
|
||||
|
||||
import re
|
||||
import sys
|
||||
from pathlib import Path
|
||||
|
||||
|
||||
def parse_fortran_arrays(filepath: str) -> list[dict]:
|
||||
"""
|
||||
解析 Fortran 文件中的数组定义和 DATA 语句
|
||||
|
||||
返回: [{"name": "p4a", "dims": [22], "data": [...]}, ...]
|
||||
"""
|
||||
with open(filepath, 'r') as f:
|
||||
content = f.read()
|
||||
|
||||
arrays = {}
|
||||
|
||||
# 1. 解析 dimension 语句
|
||||
# dimension p4a(22), p4b(10,28), ...
|
||||
dim_pattern = r'dimension\s+([a-z0-9_,()\s]+)'
|
||||
for match in re.finditer(dim_pattern, content, re.IGNORECASE):
|
||||
dim_str = match.group(1)
|
||||
# 解析每个数组
|
||||
arr_pattern = r'(\w+)\s*\(([^)]+)\)'
|
||||
for arr_match in re.finditer(arr_pattern, dim_str):
|
||||
name = arr_match.group(1).lower()
|
||||
dims = [int(d.strip()) for d in arr_match.group(2).split(',')]
|
||||
arrays[name] = {"name": name, "dims": dims, "data": None}
|
||||
|
||||
# 2. 解析 data 语句
|
||||
# data p4a / val1, val2, ... /
|
||||
# 或多行:
|
||||
# data p4b /
|
||||
# * val1, val2, ...,
|
||||
# * val3, ... /
|
||||
|
||||
# 先找到所有 data 块
|
||||
data_pattern = r'data\s+(\w+)\s*/\s*([^/]+)\s*/'
|
||||
for match in re.finditer(data_pattern, content, re.IGNORECASE | re.DOTALL):
|
||||
name = match.group(1).lower()
|
||||
data_str = match.group(2)
|
||||
|
||||
if name not in arrays:
|
||||
arrays[name] = {"name": name, "dims": [], "data": None}
|
||||
|
||||
# 解析数值
|
||||
values = parse_data_values(data_str)
|
||||
arrays[name]["data"] = values
|
||||
|
||||
return list(arrays.values())
|
||||
|
||||
|
||||
def parse_data_values(data_str: str) -> list[float]:
|
||||
"""解析 DATA 语句中的数值，处理重复语法如 7*1.387"""
|
||||
values = []
|
||||
|
||||
# 清理: 移除注释、换行，但保留 * 用于重复语法
|
||||
data_str = re.sub(r'[cC]\s*$', '', data_str) # 行尾注释
|
||||
# 移除 Fortran 续行符 * (行首的 *)，但保留数据中的 *
|
||||
lines = data_str.split('\n')
|
||||
cleaned_lines = []
|
||||
for line in lines:
|
||||
line = line.strip()
|
||||
if line.startswith('*'):
|
||||
line = line[1:].strip()
|
||||
cleaned_lines.append(line)
|
||||
data_str = ' '.join(cleaned_lines)
|
||||
|
||||
for part in data_str.split(','):
|
||||
part = part.strip()
|
||||
if not part:
|
||||
continue
|
||||
|
||||
# 处理重复语法: "7*1.387" 或 "7*1.387"
|
||||
if '*' in part and not part.startswith('-'): # 避免把负数当重复
|
||||
# 检查是否真的是重复语法
|
||||
match = re.match(r'(\d+)\s*\*\s*(-?[\d.]+)', part)
|
||||
if match:
|
||||
count = int(match.group(1))
|
||||
val = float(match.group(2))
|
||||
values.extend([val] * count)
|
||||
continue
|
||||
|
||||
try:
|
||||
values.append(float(part))
|
||||
except ValueError:
|
||||
# 跳过无法解析的部分
|
||||
pass
|
||||
|
||||
return values
|
||||
|
||||
|
||||
def generate_rust_code(arrays: list[dict]) -> str:
|
||||
"""生成 Rust 代码"""
|
||||
lines = []
|
||||
lines.append("// 自动生成的数组数据")
|
||||
lines.append("")
|
||||
|
||||
for arr in arrays:
|
||||
name = arr["name"].upper()
|
||||
dims = arr["dims"]
|
||||
data = arr["data"]
|
||||
|
||||
if not data:
|
||||
continue
|
||||
|
||||
total_size = len(data)
|
||||
|
||||
if len(dims) == 1:
|
||||
# 1D 数组
|
||||
lines.append(f"const {name}_RAW: [f64; {total_size}] = [")
|
||||
for i, val in enumerate(data):
|
||||
if i % 10 == 0:
|
||||
lines.append(" ",)
|
||||
lines[-1] += f"{val},"
|
||||
lines.append("];")
|
||||
lines.append(f"static {name}: OnceLock<[f64; {dims[0]}]> = OnceLock::new();")
|
||||
lines.append("")
|
||||
|
||||
elif len(dims) == 2:
|
||||
# 2D 数组
|
||||
nj, ni = dims[0], dims[1]
|
||||
lines.append(f"// {name}: Fortran {name.lower()}({nj}, {ni})")
|
||||
lines.append(f"const {name}_RAW: [f64; {total_size}] = [")
|
||||
for i, val in enumerate(data):
|
||||
if i % 10 == 0:
|
||||
lines.append(" ")
|
||||
lines[-1] += f"{val},"
|
||||
lines.append("];")
|
||||
lines.append(f"static {name}: OnceLock<[[f64; {ni}]; {nj}]> = OnceLock::new();")
|
||||
lines.append("")
|
||||
|
||||
# 添加转换函数
|
||||
lines.append("")
|
||||
lines.append("/// Fortran 列优先 → Rust 行优先")
|
||||
lines.append("const fn fortran_to_rust_2d<const NJ: usize, const NI: usize>(")
|
||||
lines.append(" data: &[f64; NJ * NI],")
|
||||
lines.append(") -> [[f64; NI]; NJ] {")
|
||||
lines.append(" let mut result = [[0.0; NI]; NJ];")
|
||||
lines.append(" let mut i = 0;")
|
||||
lines.append(" while i < NI {")
|
||||
lines.append(" let mut j = 0;")
|
||||
lines.append(" while j < NJ {")
|
||||
lines.append(" result[j][i] = data[j + i * NJ];")
|
||||
lines.append(" j += 1;")
|
||||
lines.append(" }")
|
||||
lines.append(" i += 1;")
|
||||
lines.append(" }")
|
||||
lines.append(" result")
|
||||
lines.append("}")
|
||||
lines.append("")
|
||||
|
||||
# 添加初始化代码
|
||||
lines.append("// 初始化函数中调用:")
|
||||
for arr in arrays:
|
||||
name = arr["name"].upper()
|
||||
dims = arr["dims"]
|
||||
if len(dims) == 2 and arr["data"]:
|
||||
nj, ni = dims[0], dims[1]
|
||||
lines.append(f"let {name.lower()} = {name}.get_or_init(|| fortran_to_rust_2d::<{nj}, {ni}>(&{name}_RAW));")
|
||||
|
||||
return '\n'.join(lines)
|
||||
|
||||
|
||||
def main():
|
||||
if len(sys.argv) < 2:
|
||||
print("用法: python3 scripts/fortran_to_rust_array.py <fortran_file>")
|
||||
print("示例: python3 scripts/fortran_to_rust_array.py tlusty/extracted/pffe.f")
|
||||
sys.exit(1)
|
||||
|
||||
filepath = sys.argv[1]
|
||||
|
||||
if not Path(filepath).exists():
|
||||
print(f"错误: 文件不存在: {filepath}")
|
||||
sys.exit(1)
|
||||
|
||||
print(f"解析: {filepath}")
|
||||
print("=" * 60)
|
||||
|
||||
arrays = parse_fortran_arrays(filepath)
|
||||
|
||||
print(f"找到 {len(arrays)} 个数组:")
|
||||
for arr in arrays:
|
||||
dims_str = ', '.join(str(d) for d in arr['dims'])
|
||||
data_count = len(arr['data']) if arr['data'] else 0
|
||||
print(f" - {arr['name']}({dims_str}): {data_count} 个值")
|
||||
|
||||
print()
|
||||
print("=" * 60)
|
||||
print("生成的 Rust 代码:")
|
||||
print("=" * 60)
|
||||
print(generate_rust_code(arrays))
|
||||
|
||||
|
||||
if __name__ == "__main__":
|
||||
main()
|
||||
@ -1,82 +0,0 @@
|
||||
#!/usr/bin/env python3
|
||||
"""
|
||||
生成 Fortran 重构追踪 Markdown 文档。
|
||||
|
||||
用法: python3 generate_tracking.py > FORTRAN_TRACKING.md
|
||||
"""
|
||||
|
||||
import csv
|
||||
import os
|
||||
|
||||
def main():
|
||||
csv_path = "/home/fmq/program/tlusty/tl208-s54/rust/fortran_analysis.csv"
|
||||
|
||||
with open(csv_path, 'r') as f:
|
||||
reader = csv.DictReader(f)
|
||||
rows = list(reader)
|
||||
|
||||
# 统计
|
||||
total = len(rows)
|
||||
done = sum(1 for r in rows if r['status'] == 'done')
|
||||
pending = sum(1 for r in rows if r['status'] == 'pending')
|
||||
pure = sum(1 for r in rows if r['is_pure'] == 'True')
|
||||
has_io = sum(1 for r in rows if r['has_io'] == 'True')
|
||||
|
||||
# 打印 Markdown 头
|
||||
print("""# Fortran 重构追踪表
|
||||
|
||||
> 自动生成，请勿手动修改。运行 `python3 scripts/generate_tracking.py > FORTRAN_TRACKING.md` 更新。
|
||||
|
||||
## 统计
|
||||
|
||||
| 指标 | 数量 |
|
||||
|------|------|
|
||||
| 总单元数 | {total} |
|
||||
| 已完成 | {done} |
|
||||
| 待处理 | {pending} |
|
||||
| 纯函数 | {pure} |
|
||||
| 有文件 I/O | {has_io} |
|
||||
| 完成率 | {rate:.1f}% |
|
||||
|
||||
## 状态说明
|
||||
|
||||
- ✅ `done` - 已重构为 Rust
|
||||
- ⬜ `pending` - 待处理
|
||||
- 🔄 `in_progress` - 进行中
|
||||
- ⏭️ `skip` - 跳过 (I/O 依赖或暂不处理)
|
||||
|
||||
## 类型说明
|
||||
|
||||
- **纯函数**: 无 COMMON 依赖、无文件 I/O、无外部调用依赖
|
||||
- **COMMON 依赖**: 需要状态结构体
|
||||
- **调用依赖**: 调用其他子程序，需要先实现依赖
|
||||
|
||||
## 完整追踪表
|
||||
|
||||
""".format(total=total, done=done, pending=pending, pure=pure, has_io=has_io, rate=100*done/total))
|
||||
|
||||
# 表格头
|
||||
print("| Fortran 文件 | 单元名 | 类型 | 纯函数 | COMMON 依赖 | 调用依赖 | I/O | Rust 模块 | 状态 |")
|
||||
print("|-------------|--------|------|--------|-------------|----------|-----|-----------|------|")
|
||||
|
||||
for r in rows:
|
||||
# 状态图标
|
||||
status_icon = "✅" if r['status'] == 'done' else "⬜"
|
||||
|
||||
# 纯函数标记
|
||||
pure_mark = "✓" if r['is_pure'] == 'True' else ""
|
||||
|
||||
# I/O 标记
|
||||
io_mark = "📁" if r['has_io'] == 'True' else ""
|
||||
|
||||
# 依赖显示
|
||||
common_deps = r['common_deps'].replace('|', ', ') if r['common_deps'] else ""
|
||||
call_deps = r['call_deps'].replace('|', ', ') if r['call_deps'] else ""
|
||||
|
||||
# Rust 模块链接
|
||||
rust_mod = r['rust_module'].replace('src/math/', '') if r['rust_module'] else ""
|
||||
|
||||
print(f"| {r['fortran_file']} | {r['unit_name']} | {r['unit_type']} | {pure_mark} | {common_deps} | {call_deps} | {io_mark} | {rust_mod} | {status_icon} |")
|
||||
|
||||
if __name__ == "__main__":
|
||||
main()
|
||||
1483
src/math/alifr1.rs
Normal file
1483
src/math/alifr1.rs
Normal file
File diff suppressed because it is too large
Load Diff
199
src/math/cspec.rs
Normal file
199
src/math/cspec.rs
Normal file
@ -0,0 +1,199 @@
|
||||
//! 碰撞强度计算。
|
||||
//!
|
||||
//! 重构自 TLUSTY `cspec.f`
|
||||
//!
|
||||
//! 使用 Van Regemorter 公式计算非标准的碰撞率，
|
||||
//! 遵循 Mihalas (1978, Stellar Atmospheres, 2nd edition) 的建议。
|
||||
//!
|
||||
//! ## 碰撞类型 (IC)
|
||||
//!
|
||||
//! - IC = -1: 中性粒子（Neutrals）
|
||||
//! - IC = -2: 离子（Ions）
|
||||
//! - IC = -11: 特殊处理
|
||||
//! - IC = -12: He I 禁戒跃迁
|
||||
|
||||
use crate::state::constants::UN;
|
||||
|
||||
/// He I 禁戒跃迁的系数 (CHE1FB)
|
||||
/// 原始 Fortran DATA 语句:
|
||||
/// CHE1FB(1,1-4) = 9.63675, -2.22941, -17.30103
|
||||
/// CHE1FB(2,1-4) = 10.85578, -2.40931, -27.00903
|
||||
/// CHE1FB(3,1-4) = 8.38043, -2.04791, -7.36621
|
||||
const CHE1FB: [[f64; 4]; 3] = [
|
||||
[9.63675, -2.22941, -17.30103, 0.0], // IFORB = 1
|
||||
[10.85578, -2.40931, -27.00903, 0.0], // IFORB = 2
|
||||
[8.38043, -2.04791, -7.36621, 0.0], // IFORB = 3
|
||||
];
|
||||
|
||||
/// 指数积分近似系数 (Abramowitz & Stegun)
|
||||
const EXPIA1: f64 = -0.57721566;
|
||||
const EXPIA2: f64 = 0.99999193;
|
||||
const EXPIA3: f64 = -0.24991055;
|
||||
const EXPIA4: f64 = 0.05519968;
|
||||
const EXPIA5: f64 = -0.00976004;
|
||||
const EXPIA6: f64 = 0.00107857;
|
||||
|
||||
const EXPIB1: f64 = 0.2677737343;
|
||||
const EXPIB2: f64 = 8.6347608925;
|
||||
const EXPIB3: f64 = 18.059016973;
|
||||
const EXPIB4: f64 = 8.5733287401;
|
||||
|
||||
const EXPIC1: f64 = 3.9584969228;
|
||||
const EXPIC2: f64 = 21.0996530827;
|
||||
const EXPIC3: f64 = 25.6329561486;
|
||||
const EXPIC4: f64 = 9.5733223454;
|
||||
|
||||
/// 计算碰撞强度。
|
||||
///
|
||||
/// # 参数
|
||||
///
|
||||
/// * `i` - 下能级索引 (1-indexed)
|
||||
/// * `j` - 上能级索引 (1-indexed)
|
||||
/// * `ic` - 碰撞类型:
|
||||
/// - -1: 中性粒子
|
||||
/// - -2: 离子
|
||||
/// - -11: 特殊处理
|
||||
/// - -12: He I 禁戒跃迁
|
||||
/// * `os` - 振子强度
|
||||
/// * `cp` - 碰撞参数（用于离子）
|
||||
/// * `u0` - 约化能量 (E/kT)
|
||||
/// * `t` - 温度 (K)
|
||||
///
|
||||
/// # 返回值
|
||||
///
|
||||
/// 碰撞强度 CS
|
||||
#[allow(clippy::too_many_arguments)]
|
||||
pub fn cspec(i: i32, j: i32, ic: i32, os: f64, cp: f64, u0: f64, t: f64) -> f64 {
|
||||
let mut cs = 0.0;
|
||||
|
||||
if ic > -10 {
|
||||
// 计算指数积分 E1(U0)
|
||||
let expiu0 = if u0 <= UN {
|
||||
// U0 <= 1: 使用级数展开
|
||||
(-u0.ln()) + EXPIA1
|
||||
+ u0 * (EXPIA2 + u0 * (EXPIA3 + u0 * (EXPIA4 + u0 * (EXPIA5 + u0 * EXPIA6))))
|
||||
} else {
|
||||
// U0 > 1: 使用连分式近似
|
||||
let num = EXPIB1 + u0 * (EXPIB2 + u0 * (EXPIB3 + u0 * EXPIB4));
|
||||
let den = EXPIC1 + u0 * (EXPIC2 + u0 * (EXPIC3 + u0 * EXPIC4));
|
||||
(-u0).exp() * num / den / u0
|
||||
};
|
||||
|
||||
let gg = if ic == -1 {
|
||||
// 中性粒子 (Auer & Mihalas 1973)
|
||||
if u0 <= 14.0 {
|
||||
0.276 * u0.exp() * expiu0
|
||||
} else {
|
||||
0.066 * (1.0 + 1.5 / u0) / u0.sqrt()
|
||||
}
|
||||
} else if ic == -2 {
|
||||
// 离子 (Mihalas 1972)
|
||||
let gg0 = 0.276 * u0.exp() * expiu0;
|
||||
if gg0 > cp { gg0 } else { cp }
|
||||
} else {
|
||||
0.0
|
||||
};
|
||||
|
||||
let t32 = t.powf(-1.5);
|
||||
cs += 19.7363 * t32 * (-u0).exp() / u0 * gg * os;
|
||||
|
||||
return cs;
|
||||
}
|
||||
|
||||
if ic == -11 {
|
||||
// 特殊处理
|
||||
let xr = -1.68_f64;
|
||||
cs += 2.16 * u0.powf(xr) / t / t.sqrt() * (-u0).exp() * os;
|
||||
return cs;
|
||||
}
|
||||
|
||||
if ic == -12 {
|
||||
// He I 禁戒跃迁 (from Klaus Werner)
|
||||
// 确定跃迁类型
|
||||
let iforb = match (i, j) {
|
||||
(2, 3) => 1,
|
||||
(2, 5) => 2,
|
||||
(3, 4) => 3,
|
||||
(4, 5) => 4,
|
||||
_ => {
|
||||
panic!("Inconsistent ICOL - CSPEC: i={}, j={}, iforb=0", i, j);
|
||||
}
|
||||
};
|
||||
|
||||
let xt = t.log10();
|
||||
let gam = if iforb <= 3 {
|
||||
CHE1FB[0][iforb as usize - 1]
|
||||
+ CHE1FB[1][iforb as usize - 1] * xt
|
||||
+ CHE1FB[2][iforb as usize - 1] / xt / xt
|
||||
} else {
|
||||
0.0
|
||||
};
|
||||
let gam = (2.30258509299405_f64 * gam).exp();
|
||||
|
||||
cs += 5.465e-11 * t.sqrt() * (-u0).exp() * gam;
|
||||
}
|
||||
|
||||
cs
|
||||
}
|
||||
|
||||
#[cfg(test)]
|
||||
mod tests {
|
||||
use super::*;
|
||||
use approx::assert_relative_eq;
|
||||
|
||||
#[test]
|
||||
fn test_cspec_neutral_low_u0() {
|
||||
// 中性粒子，U0 <= 1
|
||||
let cs = cspec(1, 2, -1, 0.5, 0.0, 0.5, 10000.0);
|
||||
assert!(cs > 0.0);
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_cspec_neutral_high_u0() {
|
||||
// 中性粒子，U0 > 14
|
||||
let cs = cspec(1, 2, -1, 0.5, 0.0, 15.0, 10000.0);
|
||||
assert!(cs > 0.0);
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_cspec_ion() {
|
||||
// 离子
|
||||
let cs = cspec(1, 2, -2, 0.5, 0.1, 2.0, 10000.0);
|
||||
assert!(cs > 0.0);
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_cspec_special() {
|
||||
// IC = -11
|
||||
let cs = cspec(1, 2, -11, 0.5, 0.0, 2.0, 10000.0);
|
||||
assert!(cs > 0.0);
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_cspec_hei_forbidden() {
|
||||
// He I 禁戒跃迁 (2->3)
|
||||
let cs = cspec(2, 3, -12, 0.0, 0.0, 2.0, 10000.0);
|
||||
assert!(cs > 0.0);
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_expiu0_low() {
|
||||
// 测试指数积分 U0 <= 1
|
||||
let u0: f64 = 0.5;
|
||||
let expiu0 = (-u0.ln()) + EXPIA1
|
||||
+ u0 * (EXPIA2 + u0 * (EXPIA3 + u0 * (EXPIA4 + u0 * (EXPIA5 + u0 * EXPIA6))));
|
||||
// E1(0.5) ≈ 0.5598
|
||||
assert_relative_eq!(expiu0, 0.5598, epsilon = 1e-3);
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_expiu0_high() {
|
||||
// 测试指数积分 U0 > 1
|
||||
let u0: f64 = 2.0;
|
||||
let num = EXPIB1 + u0 * (EXPIB2 + u0 * (EXPIB3 + u0 * EXPIB4));
|
||||
let den = EXPIC1 + u0 * (EXPIC2 + u0 * (EXPIC3 + u0 * EXPIC4));
|
||||
let expiu0 = (-u0).exp() * num / den / u0;
|
||||
// E1(2.0) ≈ 0.0477 (Abramowitz & Stegun 近似)
|
||||
assert_relative_eq!(expiu0, 0.0477, epsilon = 1e-3);
|
||||
}
|
||||
}
|
||||
427
src/math/levset.rs
Normal file
427
src/math/levset.rs
Normal file
@ -0,0 +1,427 @@
|
||||
//! 能级参数设置。
|
||||
//!
|
||||
//! 重构自 TLUSTY `levset.f`
|
||||
//!
|
||||
//! 设置能级参数 IIEXP 和 IIFOR，控制能级的处理方式。
|
||||
//!
|
||||
//! ## 能级模式 (IMODL)
|
||||
//!
|
||||
//! - 0: 显式处理，完全 NLTE
|
||||
//! - 1, 3: 跳过
|
||||
//! - 4, 5: LTE
|
||||
//! - -1, -3: 跳过，禁戒跃迁
|
||||
//! - 6: 跳过
|
||||
//! - -5, -6: 跳过，禁戒跃迁
|
||||
//! - < -100: 分组处理
|
||||
//! - < -200: 分组处理（不同方式）
|
||||
|
||||
use crate::state::constants::{MLEVEL, MDEPTH, MLVEXP};
|
||||
|
||||
/// LEVSET 的输入参数
|
||||
pub struct LevsetParams {
|
||||
/// 是否启用 LTE 模式
|
||||
pub lte: bool,
|
||||
/// 能级处理模式 (0: 自动, 其他: 由 IMODL 决定)
|
||||
pub iflev: i32,
|
||||
/// 选项表标志
|
||||
pub ioptab: i32,
|
||||
}
|
||||
|
||||
/// LEVSET 的模型状态
|
||||
pub struct LevsetModelState<'a> {
|
||||
/// 深度点数
|
||||
pub nd: usize,
|
||||
/// 原子数
|
||||
pub natom: usize,
|
||||
/// 能级数
|
||||
pub nlevel: usize,
|
||||
/// 能级模式 (NLEVEL)
|
||||
pub imodl: &'a mut [i32],
|
||||
/// 能级所属原子 (NLEVEL)
|
||||
pub iatm: &'a [i32],
|
||||
/// 能级所属元素/离子 (NLEVEL)
|
||||
pub iel: &'a [i32],
|
||||
/// 原子固定标志 (NATOM)
|
||||
pub iifix: &'a [i32],
|
||||
/// 原子起始能级 (NATOM)
|
||||
pub n0a: &'a [i32],
|
||||
/// 原子结束能级 (NATOM)
|
||||
pub nka: &'a [i32],
|
||||
/// 离子第一个能级 (NLEVEL)
|
||||
pub nfirst: &'a [i32],
|
||||
/// 离子最后一个能级 (NLEVEL)
|
||||
pub nnext: &'a [i32],
|
||||
/// LTE 能级标志 (NLEVEL)
|
||||
pub iltlev: &'a [i32],
|
||||
}
|
||||
|
||||
/// LEVSET 的输出状态
|
||||
pub struct LevsetOutputState<'a> {
|
||||
/// 显式能级索引 (NLEVEL) - 正值表示显式处理
|
||||
pub iiexp: &'a mut [i32],
|
||||
/// 禁戒能级索引 (NLEVEL)
|
||||
pub iifor: &'a mut [i32],
|
||||
/// 显式能级对应的实际能级 (MLVEXP)
|
||||
pub indlev: &'a mut [i32],
|
||||
/// LTE 参考能级 (NLEVEL × MDEPTH)
|
||||
pub iltref: &'a mut [i32],
|
||||
/// B 因子 (NLEVEL × MDEPTH)
|
||||
pub bfac: &'a mut [f64],
|
||||
/// 积分零标志 (MLVEXP × MDEPTH)
|
||||
pub igzero: &'a mut [i32],
|
||||
/// 种群零标志 (NLEVEL × MDEPTH)
|
||||
pub ipzero: &'a mut [i32],
|
||||
/// 显式能级数
|
||||
pub nlvexp: &'a mut i32,
|
||||
/// 禁戒能级数
|
||||
pub nlvfor: &'a mut i32,
|
||||
}
|
||||
|
||||
/// 设置能级参数。
|
||||
///
|
||||
/// # 参数
|
||||
///
|
||||
/// * `params` - 输入参数
|
||||
/// * `model` - 模型状态
|
||||
/// * `output` - 输出状态
|
||||
pub fn levset(
|
||||
params: &LevsetParams,
|
||||
model: &mut LevsetModelState,
|
||||
output: &mut LevsetOutputState,
|
||||
) {
|
||||
// 如果 IOPTAB < 0，直接返回
|
||||
if params.ioptab < 0 {
|
||||
return;
|
||||
}
|
||||
|
||||
let nd = model.nd;
|
||||
let natom = model.natom;
|
||||
let nlevel = model.nlevel;
|
||||
|
||||
// 初始化 B 因子
|
||||
for i in 0..nlevel {
|
||||
for id in 0..nd {
|
||||
output.bfac[i * nd + id] = 1.0;
|
||||
}
|
||||
}
|
||||
|
||||
if params.iflev == 0 {
|
||||
// 情况 1: 由 IMODL 决定处理方式
|
||||
process_by_imodl(params, model, output, natom, nlevel, nd);
|
||||
} else {
|
||||
// 情况 2: 自动处理 - 所有 ILK=0 的能级在更新的 LTE 模式下
|
||||
process_automatic(params, model, output, nlevel, nd);
|
||||
}
|
||||
|
||||
// 初始化 IGZERO 和 IPZERO
|
||||
let nlvexp = *output.nlvexp as usize;
|
||||
for ii in 0..nlvexp.min(MLVEXP) {
|
||||
output.indlev[ii] = 0;
|
||||
for id in 0..nd {
|
||||
output.igzero[ii * nd + id] = 0;
|
||||
}
|
||||
}
|
||||
|
||||
for i in 0..nlevel {
|
||||
for id in 0..nd {
|
||||
output.ipzero[i * nd + id] = 0;
|
||||
}
|
||||
if model.imodl[i].abs() <= 6 {
|
||||
if output.iiexp[i] > 0 {
|
||||
let ii_idx = (output.iiexp[i] - 1) as usize;
|
||||
if ii_idx < MLVEXP {
|
||||
output.indlev[ii_idx] = (i + 1) as i32;
|
||||
}
|
||||
}
|
||||
}
|
||||
}
|
||||
}
|
||||
|
||||
/// 按能级模式处理
|
||||
#[allow(clippy::too_many_arguments)]
|
||||
fn process_by_imodl(
|
||||
params: &LevsetParams,
|
||||
model: &mut LevsetModelState,
|
||||
output: &mut LevsetOutputState,
|
||||
natom: usize,
|
||||
nlevel: usize,
|
||||
nd: usize,
|
||||
) {
|
||||
// 初始化
|
||||
for i in 0..nlevel {
|
||||
output.iiexp[i] = 0;
|
||||
output.iifor[i] = 0;
|
||||
}
|
||||
|
||||
let mut iie: i32 = 0;
|
||||
let mut iif: i32 = 0;
|
||||
let mut igrp: i32 = 0;
|
||||
|
||||
for iat in 0..natom {
|
||||
igrp = 0;
|
||||
if model.iifix[iat] == 1 {
|
||||
continue;
|
||||
}
|
||||
|
||||
let n0a = model.n0a[iat] as usize;
|
||||
let nka = model.nka[iat] as usize;
|
||||
|
||||
for i in n0a..=nka {
|
||||
let imodl = model.imodl[i];
|
||||
let mut inew = 1;
|
||||
|
||||
if imodl == 0 {
|
||||
// 显式处理
|
||||
iie += 1;
|
||||
iif += 1;
|
||||
output.iiexp[i] = iie;
|
||||
output.iifor[i] = iif;
|
||||
output.indlev[(iie - 1) as usize] = (i + 1) as i32;
|
||||
} else if imodl > 0 {
|
||||
// 正模式
|
||||
iif += 1;
|
||||
output.iifor[i] = iif;
|
||||
if model.iltlev[i] >= 1 {
|
||||
iie += 1;
|
||||
output.iiexp[i] = iie;
|
||||
}
|
||||
let nfirst = model.nfirst[model.iel[i] as usize] as usize;
|
||||
let nnext = model.nnext[model.iel[i] as usize] as usize;
|
||||
if i + 1 == nfirst || i + 1 == nnext {
|
||||
iie += 1;
|
||||
output.iiexp[i] = iie;
|
||||
}
|
||||
} else if imodl < -100 {
|
||||
// 分组处理 (IMODL < -100)
|
||||
if i > n0a {
|
||||
if model.imodl[i] == model.imodl[i - 1] {
|
||||
inew = 0;
|
||||
}
|
||||
}
|
||||
output.iiexp[i] = -iie;
|
||||
if inew == 1 {
|
||||
iie += 1;
|
||||
output.iiexp[i] = -iie;
|
||||
let nfirst = model.nfirst[model.iel[i] as usize] as usize;
|
||||
let mut im = nfirst;
|
||||
let mut lml = true;
|
||||
while im < i && lml {
|
||||
if model.imodl[i] == model.imodl[im] {
|
||||
output.iiexp[i] = output.iiexp[im];
|
||||
iie -= 1;
|
||||
lml = false;
|
||||
}
|
||||
im += 1;
|
||||
}
|
||||
}
|
||||
igrp = 1;
|
||||
iif += 1;
|
||||
output.iifor[i] = iif;
|
||||
} else if imodl < -200 {
|
||||
// 分组处理 (IMODL < -200)
|
||||
if i > n0a {
|
||||
if model.imodl[i] == model.imodl[i - 1] {
|
||||
inew = 0;
|
||||
}
|
||||
}
|
||||
if inew == 1 {
|
||||
iie += 1;
|
||||
}
|
||||
if inew == 1 {
|
||||
iif += 1;
|
||||
}
|
||||
output.iiexp[i] = -iie;
|
||||
output.iifor[i] = -iif;
|
||||
igrp = 1;
|
||||
}
|
||||
}
|
||||
|
||||
// 处理分组
|
||||
if igrp == 1 {
|
||||
for i in n0a..=nka {
|
||||
if output.iiexp[i] > 0 {
|
||||
output.iiexp[i] = -output.iiexp[i];
|
||||
}
|
||||
if model.imodl[i] == 0 {
|
||||
model.imodl[i] = 7;
|
||||
}
|
||||
}
|
||||
}
|
||||
}
|
||||
|
||||
*output.nlvexp = iie.abs();
|
||||
if *output.nlvexp > MLVEXP as i32 {
|
||||
panic!("nlvexp.gt.mlvexp: {} > {}", *output.nlvexp, MLVEXP);
|
||||
}
|
||||
|
||||
*output.nlvfor = iif.abs();
|
||||
|
||||
// 清理特定模式
|
||||
for i in 0..nlevel {
|
||||
let imodl = model.imodl[i];
|
||||
if imodl == 1 || imodl == 3 {
|
||||
output.iiexp[i] = 0;
|
||||
} else if imodl == 4 || imodl == 5 {
|
||||
output.iiexp[i] = 0;
|
||||
} else if imodl == -1 || imodl == -3 {
|
||||
output.iiexp[i] = 0;
|
||||
output.iifor[i] = 0;
|
||||
} else if imodl == 6 {
|
||||
output.iiexp[i] = 0;
|
||||
} else if imodl == -5 || imodl == -6 {
|
||||
output.iiexp[i] = 0;
|
||||
output.iifor[i] = 0;
|
||||
} else if imodl < -100 {
|
||||
model.imodl[i] = 7;
|
||||
} else if imodl < -200 {
|
||||
model.imodl[i] = -7;
|
||||
}
|
||||
|
||||
// 设置 ILTREF
|
||||
let nnext = model.nnext[model.iel[i] as usize];
|
||||
for id in 0..nd {
|
||||
output.iltref[i * nd + id] = nnext;
|
||||
}
|
||||
}
|
||||
|
||||
// 如果有分组，将所有能级设为模式 7
|
||||
if igrp == 1 {
|
||||
for iat in 0..natom {
|
||||
if model.iifix[iat] == 1 {
|
||||
continue;
|
||||
}
|
||||
let n0a = model.n0a[iat] as usize;
|
||||
let nka = model.nka[iat] as usize;
|
||||
for i in n0a..=nka {
|
||||
model.imodl[i] = 7;
|
||||
}
|
||||
}
|
||||
}
|
||||
}
|
||||
|
||||
/// 自动处理模式
|
||||
fn process_automatic(
|
||||
params: &LevsetParams,
|
||||
model: &mut LevsetModelState,
|
||||
output: &mut LevsetOutputState,
|
||||
nlevel: usize,
|
||||
nd: usize,
|
||||
) {
|
||||
let mut iif: i32 = 0;
|
||||
|
||||
for i in 0..nlevel {
|
||||
if model.iifix[model.iatm[i] as usize] == 1 {
|
||||
continue;
|
||||
}
|
||||
model.imodl[i] = 5;
|
||||
let nfirst = model.nfirst[model.iel[i] as usize] as usize;
|
||||
let nnext = model.nnext[model.iel[i] as usize] as usize;
|
||||
if i + 1 == nfirst || i + 1 == nnext {
|
||||
iif += 1;
|
||||
output.iifor[i] = iif;
|
||||
}
|
||||
}
|
||||
|
||||
*output.nlvexp = iif;
|
||||
if *output.nlvexp > MLVEXP as i32 {
|
||||
panic!("nlvexp.gt.mlvexp: {} > {}", *output.nlvexp, MLVEXP);
|
||||
}
|
||||
|
||||
*output.nlvfor = iif;
|
||||
|
||||
// 清理非第一/最后能级的 IIFOR
|
||||
for i in 0..nlevel {
|
||||
let nfirst = model.nfirst[model.iel[i] as usize] as usize;
|
||||
let nnext = model.nnext[model.iel[i] as usize] as usize;
|
||||
if i + 1 != nfirst && i + 1 != nnext {
|
||||
output.iifor[i] = 0;
|
||||
}
|
||||
}
|
||||
|
||||
// 设置 IIEXP 和 INDLEV
|
||||
for i in 0..nlevel {
|
||||
output.iiexp[i] = output.iifor[i];
|
||||
if output.iiexp[i] > 0 {
|
||||
output.indlev[(output.iiexp[i] - 1) as usize] = (i + 1) as i32;
|
||||
}
|
||||
let nnext = model.nnext[model.iel[i] as usize];
|
||||
for id in 0..nd {
|
||||
output.iltref[i * nd + id] = nnext;
|
||||
}
|
||||
}
|
||||
|
||||
// 非 LTE 模式下，所有能级都是显式的
|
||||
if !params.lte {
|
||||
for i in 0..nlevel {
|
||||
output.iifor[i] = (i + 1) as i32;
|
||||
}
|
||||
*output.nlvfor = nlevel as i32;
|
||||
}
|
||||
}
|
||||
|
||||
#[cfg(test)]
|
||||
mod tests {
|
||||
use super::*;
|
||||
|
||||
#[test]
|
||||
fn test_levset_ioptab_negative() {
|
||||
// IOPTAB < 0 时应直接返回
|
||||
let params = LevsetParams {
|
||||
lte: false,
|
||||
iflev: 0,
|
||||
ioptab: -1,
|
||||
};
|
||||
// 创建简单的模型状态
|
||||
let mut imodl = vec![0i32; 10];
|
||||
let iatm = vec![1i32; 10];
|
||||
let iel = vec![1i32; 10];
|
||||
let iifix = vec![0i32; 2];
|
||||
let n0a = vec![0i32; 2];
|
||||
let nka = vec![9i32; 2];
|
||||
let nfirst = vec![0i32; 10];
|
||||
let nnext = vec![9i32; 10];
|
||||
let iltlev = vec![0i32; 10];
|
||||
|
||||
let mut model = LevsetModelState {
|
||||
nd: 5,
|
||||
natom: 2,
|
||||
nlevel: 10,
|
||||
imodl: &mut imodl,
|
||||
iatm: &iatm,
|
||||
iel: &iel,
|
||||
iifix: &iifix,
|
||||
n0a: &n0a,
|
||||
nka: &nka,
|
||||
nfirst: &nfirst,
|
||||
nnext: &nnext,
|
||||
iltlev: &iltlev,
|
||||
};
|
||||
|
||||
let mut iiexp = vec![0i32; 10];
|
||||
let mut iifor = vec![0i32; 10];
|
||||
let mut indlev = vec![0i32; MLVEXP];
|
||||
let mut iltref = vec![0i32; 10 * 5];
|
||||
let mut bfac = vec![1.0; 10 * 5];
|
||||
let mut igzero = vec![0i32; MLVEXP * 5];
|
||||
let mut ipzero = vec![0i32; 10 * 5];
|
||||
let mut nlvexp = 0i32;
|
||||
let mut nlvfor = 0i32;
|
||||
|
||||
let mut output = LevsetOutputState {
|
||||
iiexp: &mut iiexp,
|
||||
iifor: &mut iifor,
|
||||
indlev: &mut indlev,
|
||||
iltref: &mut iltref,
|
||||
bfac: &mut bfac,
|
||||
igzero: &mut igzero,
|
||||
ipzero: &mut ipzero,
|
||||
nlvexp: &mut nlvexp,
|
||||
nlvfor: &mut nlvfor,
|
||||
};
|
||||
|
||||
levset(¶ms, &mut model, &mut output);
|
||||
|
||||
// IOPTAB < 0 时，nlvexp 应该保持为 0
|
||||
assert_eq!(*output.nlvexp, 0);
|
||||
}
|
||||
}
|
||||
@ -1,5 +1,6 @@
|
||||
//! 数学工具函数，重构自 TLUSTY Fortran。
|
||||
|
||||
mod alifr1;
|
||||
mod alifr3;
|
||||
mod alifr6;
|
||||
mod alifrk;
|
||||
@ -18,6 +19,7 @@ mod collhe;
|
||||
mod compt0;
|
||||
mod comset;
|
||||
mod cross;
|
||||
mod cspec;
|
||||
mod ctdata;
|
||||
mod cubic;
|
||||
mod dielrc;
|
||||
@ -54,6 +56,7 @@ mod irc;
|
||||
mod interpolate;
|
||||
mod laguer;
|
||||
mod levsol;
|
||||
mod levset;
|
||||
mod levgrp;
|
||||
mod lineqs;
|
||||
mod linspl;
|
||||
@ -62,6 +65,9 @@ mod matinv;
|
||||
mod meanop;
|
||||
mod minv3;
|
||||
mod odfhst;
|
||||
mod odffr;
|
||||
mod opadd0;
|
||||
mod opctab;
|
||||
mod pfcno;
|
||||
mod pffe;
|
||||
mod prdini;
|
||||
@ -76,6 +82,7 @@ mod quit;
|
||||
mod reflev;
|
||||
mod raph;
|
||||
mod ratmal;
|
||||
mod ratmat;
|
||||
mod rayleigh;
|
||||
mod rybmat;
|
||||
mod rayset;
|
||||
@ -120,6 +127,7 @@ mod xk2dop;
|
||||
mod ylintp;
|
||||
mod zmrho;
|
||||
|
||||
pub use alifr1::{alifr1, Alifr1Params, Alifr1ModelState, Alifr1RadState};
|
||||
pub use alifr3::{alifr3, Alifr3Params};
|
||||
pub use alifr6::{alifr6, Alifr6Params, Alifr6State};
|
||||
pub use alifrk::{alifrk, AlifrkParams, AlifrkState};
|
||||
@ -137,6 +145,7 @@ pub use ckoest::ckoest;
|
||||
pub use collhe::collhe;
|
||||
pub use comset::{comset, ComsetParams, ComsetResult};
|
||||
pub use cross::{cross, crossd};
|
||||
pub use cspec::cspec;
|
||||
pub use ctdata::{hction, hctrecom, CTION, CTRECOMB};
|
||||
pub use cubic::{cubic, CubicCon};
|
||||
pub use dielrc::dielrc;
|
||||
@ -173,6 +182,7 @@ pub use irc::irc;
|
||||
pub use interpolate::{lagran, yint};
|
||||
pub use laguer::laguer;
|
||||
pub use levsol::levsol;
|
||||
pub use levset::{levset, LevsetParams, LevsetModelState, LevsetOutputState};
|
||||
pub use levgrp::{levgrp, LevgrpParams, LevgrpResult};
|
||||
pub use lineqs::{lineqs, lineqs_nr};
|
||||
pub use linspl::{linspl, LinsplParams};
|
||||
@ -180,7 +190,10 @@ pub use locate::locate;
|
||||
pub use matinv::matinv;
|
||||
pub use meanop::meanop;
|
||||
pub use minv3::minv3;
|
||||
pub use opadd0::{opadd0, Opadd0Params, Opadd0FreqData, Opadd0OutputState};
|
||||
pub use opctab::{opctab, OpctabParams, OpctabTableData, OpctabModelState, OpctabOutput};
|
||||
pub use odfhst::odfhst;
|
||||
pub use odffr::{odffr, OdffrParams, OdffrAtomicData, OdffrModelData, OdffrOutputState};
|
||||
pub use pfcno::pfcno;
|
||||
pub use pffe::pffe;
|
||||
pub use prdini::prdini;
|
||||
@ -195,6 +208,7 @@ pub use reflev::reflev;
|
||||
pub use quit::{quit, quit_error};
|
||||
pub use raph::raph;
|
||||
pub use ratmal::ratmal;
|
||||
pub use ratmat::{ratmat, RatmatParams, RatmatOutput};
|
||||
pub use rayleigh::{
|
||||
rayleigh, rayleigh_h2_cross_section, rayleigh_h_cross_section, rayleigh_he_cross_section,
|
||||
RayleighParams, RayleighResult,
|
||||
|
||||
307
src/math/odffr.rs
Normal file
307
src/math/odffr.rs
Normal file
@ -0,0 +1,307 @@
|
||||
//! ODF 频率设置。
|
||||
//!
|
||||
//! 重构自 TLUSTY `odffr.f`
|
||||
//!
|
||||
//! 为 ODF（Opacity Distribution Function）设置内部频率，
|
||||
//! 用于处理系限附近的重叠谱线。
|
||||
//!
|
||||
//! ## 算法说明
|
||||
//!
|
||||
//! 谱线向连续跃迁 (IL - IU) 的边缘收敛。
|
||||
//! - IL: 下能级索引
|
||||
//! - IU: 上能级索引（通常是下一离子的基态或 ODF 形式中的平均能级）
|
||||
|
||||
use crate::state::constants::{HALF, MFRO};
|
||||
|
||||
/// 常量 (从 Fortran PARAMETER 语句)
|
||||
/// FRH = 3.28805D15
|
||||
const FRH: f64 = 3.28805e15;
|
||||
/// CDOP = 2.84511D-7
|
||||
const CDOP: f64 = 2.84511e-7;
|
||||
/// CDOM = 14.
|
||||
const CDOM: f64 = 14.0;
|
||||
/// SIX = 6.
|
||||
const SIX: f64 = 6.0;
|
||||
/// SEPT = 7.
|
||||
const SEPT: f64 = 7.0;
|
||||
|
||||
/// ODFFR 输入参数
|
||||
pub struct OdffrParams {
|
||||
/// 下能级索引 (1-indexed)
|
||||
pub il: usize,
|
||||
/// 上能级索引 (1-indexed)
|
||||
pub iu: usize,
|
||||
/// 有效温度 (K)
|
||||
pub teff: f64,
|
||||
/// 最大主量子数
|
||||
pub nlmx: usize,
|
||||
}
|
||||
|
||||
/// ODFFR 原子数据
|
||||
pub struct OdffrAtomicData<'a> {
|
||||
/// 元素索引 (NLEVEL)
|
||||
pub iel: &'a [i32],
|
||||
/// 电荷数 (NATOM)
|
||||
pub iz: &'a [f64],
|
||||
/// 电离能 (NLEVEL)
|
||||
pub enion: &'a [f64],
|
||||
/// 主量子数 (NLEVEL)
|
||||
pub nquant: &'a [i32],
|
||||
}
|
||||
|
||||
/// ODFFR 模型数据
|
||||
pub struct OdffrModelData<'a> {
|
||||
/// 跃迁索引 (NLEVEL × NLEVEL)
|
||||
pub itra: &'a [i32],
|
||||
/// ODF 索引
|
||||
pub jndodf: &'a [i32],
|
||||
}
|
||||
|
||||
/// ODFFR 输出状态
|
||||
pub struct OdffrOutputState<'a> {
|
||||
/// ODF 频率点数 (MODF)
|
||||
pub nfrodf: &'a mut [i32],
|
||||
/// ODF 频率 (MFRO × MODF)
|
||||
pub fros: &'a mut [f64],
|
||||
/// ODF 权重 (MFRO × MODF)
|
||||
pub wnus: &'a mut [f64],
|
||||
}
|
||||
|
||||
/// 普朗克常数 (从 TLUSTY 常量)
|
||||
const H: f64 = 6.626176e-27;
|
||||
/// UN = 1.0 (里德伯常数的倍数)
|
||||
const UN: f64 = 1.0;
|
||||
|
||||
/// 为 ODF 设置内部频率。
|
||||
///
|
||||
/// # 参数
|
||||
///
|
||||
/// * `params` - 输入参数
|
||||
/// * `atomic` - 原子数据
|
||||
/// * `model` - 模型数据
|
||||
/// * `output` - 输出状态
|
||||
///
|
||||
/// # Panics
|
||||
///
|
||||
/// 当频率点数超过 MFRO 时 panic。
|
||||
#[allow(clippy::too_many_arguments)]
|
||||
pub fn odffr(
|
||||
params: &OdffrParams,
|
||||
atomic: &OdffrAtomicData,
|
||||
model: &OdffrModelData,
|
||||
output: &mut OdffrOutputState,
|
||||
) {
|
||||
let il = params.il;
|
||||
let iu = params.iu;
|
||||
let il_idx = il - 1;
|
||||
let iu_idx = iu - 1;
|
||||
|
||||
// 计算电荷平方
|
||||
let iel_idx = atomic.iel[il_idx] as usize;
|
||||
let ch = atomic.iz[iel_idx - 1] * atomic.iz[iel_idx - 1];
|
||||
let frion = ch * FRH;
|
||||
|
||||
// 电离频率
|
||||
let fre = atomic.enion[il_idx] / H;
|
||||
|
||||
// 临时频率数组
|
||||
let mut ffro = vec![0.0_f64; MFRO];
|
||||
|
||||
let mut nf: usize = 1;
|
||||
|
||||
let nq1 = atomic.nquant[iu_idx] as usize;
|
||||
let xl2 = UN / (atomic.nquant[il_idx] as f64 * atomic.nquant[il_idx] as f64);
|
||||
let xu1 = UN / ((atomic.nquant[iu_idx] - 1) as f64 * (atomic.nquant[iu_idx] - 1) as f64);
|
||||
let xu2 = UN / (atomic.nquant[iu_idx] as f64 * atomic.nquant[iu_idx] as f64);
|
||||
|
||||
let frc = frion * (xl2 - xu2);
|
||||
ffro[nf - 1] = HALF * (frc + frion * (xl2 - xu1));
|
||||
|
||||
let kt = model.itra[il_idx * atomic.iel.len() + iu_idx] as usize;
|
||||
let kl = model.jndodf[kt - 1] as usize;
|
||||
|
||||
let dopo = CDOP * params.teff.sqrt() * frc;
|
||||
let dopm = CDOM * dopo;
|
||||
|
||||
let mut fr1 = ffro[0];
|
||||
|
||||
// 遍历主量子数
|
||||
for i in nq1..=params.nlmx {
|
||||
let ii = (i * i) as f64;
|
||||
let fr2 = fre - frion / ii;
|
||||
let df = fr2 - fr1;
|
||||
|
||||
if df > dopm {
|
||||
// 大间隔：添加密集点
|
||||
for j in 1..=7 {
|
||||
nf += 1;
|
||||
if nf > MFRO {
|
||||
nf -= 1;
|
||||
goto_end(&ffro, nf, kl, output);
|
||||
return;
|
||||
}
|
||||
ffro[nf - 1] = fr1 + j as f64 * dopo;
|
||||
}
|
||||
|
||||
let df_inner = fr2 - SEPT * dopo - ffro[nf - 1];
|
||||
let ni = (df_inner / (SIX * dopo)) as usize;
|
||||
let ddf = df_inner / ((ni + 1) as f64);
|
||||
|
||||
for j in 1..=ni {
|
||||
nf += 1;
|
||||
if nf > MFRO - 3 {
|
||||
nf -= 1;
|
||||
goto_end(&ffro, nf, kl, output);
|
||||
return;
|
||||
}
|
||||
ffro[nf - 1] = fr1 + SEPT * dopo + j as f64 * ddf;
|
||||
}
|
||||
|
||||
for j in (0..=7).rev() {
|
||||
nf += 1;
|
||||
if nf > MFRO {
|
||||
nf -= 1;
|
||||
goto_end(&ffro, nf, kl, output);
|
||||
return;
|
||||
}
|
||||
ffro[nf - 1] = fr2 - j as f64 * dopo;
|
||||
}
|
||||
|
||||
fr1 = fr2;
|
||||
} else {
|
||||
// 小间隔：均匀分布
|
||||
let ni = (df / dopo) as usize;
|
||||
let ddf = df / ((ni + 1) as f64);
|
||||
|
||||
for j in 1..=ni {
|
||||
nf += 1;
|
||||
if nf > MFRO - 3 {
|
||||
nf -= 1;
|
||||
goto_end(&ffro, nf, kl, output);
|
||||
return;
|
||||
}
|
||||
ffro[nf - 1] = fr1 + j as f64 * ddf;
|
||||
}
|
||||
|
||||
nf += 1;
|
||||
if nf > MFRO {
|
||||
nf -= 1;
|
||||
goto_end(&ffro, nf, kl, output);
|
||||
return;
|
||||
}
|
||||
ffro[nf - 1] = fr2;
|
||||
fr1 = fr2;
|
||||
}
|
||||
}
|
||||
|
||||
goto_end(&ffro, nf, kl, output);
|
||||
}
|
||||
|
||||
/// 完成频率设置并计算权重
|
||||
fn goto_end(ffro: &[f64], nf: usize, kl: usize, output: &mut OdffrOutputState) {
|
||||
let mut nf = nf;
|
||||
nf += 1;
|
||||
if nf > MFRO {
|
||||
panic!(
|
||||
"too many points for hydrogen ODF - nf.gt.mfro: {} > {}",
|
||||
nf, MFRO
|
||||
);
|
||||
}
|
||||
|
||||
// 添加最后一个点（略低于电离限）
|
||||
let kl_idx = kl - 1;
|
||||
let mut fros_local = vec![0.0; nf];
|
||||
|
||||
// 逆序复制
|
||||
let fre = ffro[0] / 0.999999999_f64; // 从第一个点估算 fre
|
||||
fros_local[nf - 1] = fre * 0.999999999;
|
||||
for i in 0..nf - 1 {
|
||||
fros_local[i] = ffro[nf - 2 - i];
|
||||
}
|
||||
|
||||
output.nfrodf[kl_idx] = nf as i32;
|
||||
|
||||
if nf > MFRO {
|
||||
panic!(
|
||||
"too many points for hydrogen ODF - nf.gt.mfro: {} > {}",
|
||||
nf, MFRO
|
||||
);
|
||||
}
|
||||
|
||||
// 复制到输出
|
||||
for i in 0..nf {
|
||||
output.fros[i * output.nfrodf.len() + kl_idx] = fros_local[i];
|
||||
}
|
||||
|
||||
// 计算权重
|
||||
// 第一个点
|
||||
output.wnus[kl_idx] = HALF * (fros_local[0] - fros_local[1]);
|
||||
// 最后一个点
|
||||
output.wnus[(nf - 1) * output.nfrodf.len() + kl_idx] =
|
||||
HALF * (fros_local[nf - 2] - fros_local[nf - 1]);
|
||||
|
||||
// 中间点
|
||||
for i in 2..nf {
|
||||
output.wnus[(i - 1) * output.nfrodf.len() + kl_idx] =
|
||||
HALF * (fros_local[i - 2] - fros_local[i]);
|
||||
}
|
||||
}
|
||||
|
||||
#[cfg(test)]
|
||||
mod tests {
|
||||
use super::*;
|
||||
use approx::assert_relative_eq;
|
||||
|
||||
#[test]
|
||||
fn test_odffr_constants() {
|
||||
// 验证常量
|
||||
assert_relative_eq!(FRH, 3.28805e15, epsilon = 1e10);
|
||||
assert_relative_eq!(CDOP, 2.84511e-7, epsilon = 1e-12);
|
||||
assert_relative_eq!(CDOM, 14.0, epsilon = 1e-10);
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_odffr_basic() {
|
||||
// 基本测试
|
||||
let params = OdffrParams {
|
||||
il: 2,
|
||||
iu: 10,
|
||||
teff: 10000.0,
|
||||
nlmx: 10,
|
||||
};
|
||||
|
||||
let iel = vec![1, 1, 1, 1, 1, 1, 1, 1, 1, 1];
|
||||
let iz = vec![1.0];
|
||||
let enion = vec![13.6, 13.5, 13.4, 13.3, 13.2, 13.1, 13.0, 12.9, 12.8, 12.7];
|
||||
let nquant = vec![1, 2, 3, 4, 5, 6, 7, 8, 9, 10];
|
||||
|
||||
let atomic = OdffrAtomicData {
|
||||
iel: &iel,
|
||||
iz: &iz,
|
||||
enion: &enion,
|
||||
nquant: &nquant,
|
||||
};
|
||||
|
||||
let itra = vec![1i32; 100]; // 所有跃迁索引设为 1
|
||||
let jndodf = vec![1i32]; // ODF 索引
|
||||
let model = OdffrModelData {
|
||||
itra: &itra,
|
||||
jndodf: &jndodf,
|
||||
};
|
||||
|
||||
let mut nfrodf = vec![0i32; 10];
|
||||
let mut fros = vec![0.0; MFRO * 10];
|
||||
let mut wnus = vec![0.0; MFRO * 10];
|
||||
|
||||
let mut output = OdffrOutputState {
|
||||
nfrodf: &mut nfrodf,
|
||||
fros: &mut fros,
|
||||
wnus: &mut wnus,
|
||||
};
|
||||
|
||||
odffr(¶ms, &atomic, &model, &mut output);
|
||||
|
||||
// 验证输出
|
||||
assert!(output.nfrodf[0] > 0);
|
||||
}
|
||||
}
|
||||
271
src/math/opadd0.rs
Normal file
271
src/math/opadd0.rs
Normal file
@ -0,0 +1,271 @@
|
||||
//! 附加不透明度源截面设置。
|
||||
//!
|
||||
//! 重构自 TLUSTY `opadd0.f`
|
||||
//!
|
||||
//! 设置各种附加不透明度源的截面，包括：
|
||||
//! - H I Rayleigh 散射
|
||||
//! - He I Rayleigh 散射
|
||||
//! - H2 Rayleigh 散射
|
||||
//! - H- 束缚-自由和自由-自由
|
||||
//! - H2+ 束缚-自由和自由-自由
|
||||
//! - He- 自由-自由
|
||||
|
||||
use crate::math::sbfhmi::sbfhmi;
|
||||
|
||||
/// 常量 (从 Fortran PARAMETER 语句)
|
||||
/// H I Rayleigh 散射阈值频率
|
||||
const FRRAY: f64 = 2.463e15;
|
||||
/// He I Rayleigh 散射阈值频率
|
||||
const FRAYHE: f64 = 5.150e15;
|
||||
/// H2 Rayleigh 散射阈值频率
|
||||
const FRAYH2: f64 = 2.922e15;
|
||||
/// 光速 (Angstrom/s)
|
||||
const CLS: f64 = 2.997925e18;
|
||||
/// H I Rayleigh 散射系数
|
||||
const CR0: f64 = 5.799e-13;
|
||||
const CR1: f64 = 1.422e-6;
|
||||
const CR2: f64 = 2.784;
|
||||
|
||||
/// OPADD0 输入参数
|
||||
pub struct Opadd0Params {
|
||||
/// 频率索引 (1-indexed)
|
||||
pub ij: usize,
|
||||
/// 连续谱数
|
||||
pub ncon: usize,
|
||||
/// 最大截面数
|
||||
pub mcross: usize,
|
||||
/// H I Rayleigh 散射标志
|
||||
pub irsct: i32,
|
||||
/// He I Rayleigh 散射标志
|
||||
pub irsche: i32,
|
||||
/// H2 Rayleigh 散射标志
|
||||
pub irsch2: i32,
|
||||
/// 分子标志
|
||||
pub ifmol: i32,
|
||||
/// H- 不透明度标志
|
||||
pub iophmi: i32,
|
||||
/// H2+ 不透明度标志
|
||||
pub ioph2p: i32,
|
||||
/// He- 不透明度标志
|
||||
pub iophem: i32,
|
||||
/// ODF 标志
|
||||
pub ispodf: i32,
|
||||
}
|
||||
|
||||
/// OPADD0 频率数据
|
||||
pub struct Opadd0FreqData<'a> {
|
||||
/// 频率数组
|
||||
pub freq: &'a [f64],
|
||||
/// ODF 频率映射 (可选)
|
||||
pub ifreqb: Option<&'a [i32]>,
|
||||
}
|
||||
|
||||
/// OPADD0 输出状态
|
||||
pub struct Opadd0OutputState<'a> {
|
||||
/// 截面数组 (MCROSS × MFREQ)
|
||||
pub bfcs: &'a mut [f32],
|
||||
/// 频率维度
|
||||
pub mfreq: usize,
|
||||
}
|
||||
|
||||
/// 设置附加不透明度源的截面。
|
||||
///
|
||||
/// # 参数
|
||||
///
|
||||
/// * `params` - 输入参数
|
||||
/// * `freq_data` - 频率数据
|
||||
/// * `output` - 输出状态
|
||||
///
|
||||
/// # Panics
|
||||
///
|
||||
/// 当 IT > MCROSS 时 panic。
|
||||
pub fn opadd0(
|
||||
params: &Opadd0Params,
|
||||
freq_data: &Opadd0FreqData,
|
||||
output: &mut Opadd0OutputState,
|
||||
) {
|
||||
let ij = params.ij;
|
||||
let ij_idx = ij - 1;
|
||||
|
||||
// 获取频率
|
||||
let fr = if params.ispodf >= 1 {
|
||||
let ifreqb = freq_data.ifreqb.expect("ifreqb required for ODF mode");
|
||||
freq_data.freq[ifreqb[ij_idx] as usize - 1]
|
||||
} else {
|
||||
freq_data.freq[ij_idx]
|
||||
};
|
||||
|
||||
let mut it = params.ncon;
|
||||
|
||||
// H I Rayleigh 散射
|
||||
if params.irsct != 0 {
|
||||
it += 1;
|
||||
if it > params.mcross {
|
||||
panic!("it.gt.mcross in opadd: {} > {}", it, params.mcross);
|
||||
}
|
||||
let frm = fr.min(FRRAY);
|
||||
let x = (CLS / frm).powi(2);
|
||||
let cs = (CR0 + (CR1 + CR2 / x) / x) / x / x / x;
|
||||
output.bfcs[(it - 1) * output.mfreq + ij_idx] = cs as f32;
|
||||
}
|
||||
|
||||
// He I Rayleigh 散射
|
||||
if params.irsche != 0 {
|
||||
it += 1;
|
||||
if it > params.mcross {
|
||||
panic!("it.gt.mcross in opadd: {} > {}", it, params.mcross);
|
||||
}
|
||||
let x = (CLS / fr.min(FRAYHE)).powi(2);
|
||||
let cs = 5.484e-14 / x / x * (1.0 + (2.44e5 + 5.94e10 / (x - 2.90e5)) / x).powi(2);
|
||||
output.bfcs[(it - 1) * output.mfreq + ij_idx] = cs as f32;
|
||||
}
|
||||
|
||||
// H2 Rayleigh 散射
|
||||
if params.irsch2 != 0 && params.ifmol > 0 {
|
||||
it += 1;
|
||||
if it > params.mcross {
|
||||
panic!("it.gt.mcross in opadd: {} > {}", it, params.mcross);
|
||||
}
|
||||
let x = (CLS / fr.min(FRAYH2)).powi(2);
|
||||
let x2 = 1.0 / x / x;
|
||||
let cs = (8.14e-13 + 1.28e-6 / x + 1.61 * x2) * x2;
|
||||
output.bfcs[(it - 1) * output.mfreq + ij_idx] = cs as f32;
|
||||
}
|
||||
|
||||
// H- 束缚-自由和自由-自由
|
||||
if params.iophmi > 0 {
|
||||
it += 1;
|
||||
if it > params.mcross {
|
||||
panic!("it.gt.mcross in opadd: {} > {}", it, params.mcross);
|
||||
}
|
||||
let cs = sbfhmi(fr);
|
||||
output.bfcs[(it - 1) * output.mfreq + ij_idx] = cs as f32;
|
||||
}
|
||||
|
||||
// H2+ 束缚-自由和自由-自由
|
||||
if params.ioph2p > 0 {
|
||||
it += 1;
|
||||
if it + 1 > params.mcross {
|
||||
panic!("it.gt.mcross in opadd: {} > {}", it, params.mcross);
|
||||
}
|
||||
let x = fr * 1e-15;
|
||||
// H2+ bound-free
|
||||
let cs_bf = (-7.342e-3 + (-2.409 + (1.028 + (-4.23e-1 + (1.224e-1 - 1.351e-2 * x) * x) * x) * x) * x)
|
||||
* 1.602e-12
|
||||
/ 1.3806e-16; // BOLK
|
||||
output.bfcs[(it - 1) * output.mfreq + ij_idx] = cs_bf as f32;
|
||||
|
||||
it += 1;
|
||||
let x = fr.ln();
|
||||
// H2+ free-free
|
||||
let cs_ff = -3.0233e3 + (3.7797e2 + (-1.82496e1 + (3.9207e-1 - 3.1672e-3 * x) * x) * x) * x;
|
||||
output.bfcs[(it - 1) * output.mfreq + ij_idx] = cs_ff as f32;
|
||||
}
|
||||
|
||||
// He- 自由-自由
|
||||
if params.iophem > 0 {
|
||||
it += 1;
|
||||
if it + 2 > params.mcross {
|
||||
panic!("it.gt.mcross in opadd: {} > {}", it, params.mcross);
|
||||
}
|
||||
let a = 3.397e-46 + (-5.216e-31 + 7.039e-15 / fr) / fr;
|
||||
let b = -4.116e-42 + (1.067e-26 + 8.135e-11 / fr) / fr;
|
||||
let c = 5.081e-37 + (-8.724e-23 - 5.659e-8 / fr) / fr;
|
||||
|
||||
output.bfcs[(it - 1) * output.mfreq + ij_idx] = a as f32;
|
||||
output.bfcs[it * output.mfreq + ij_idx] = b as f32;
|
||||
output.bfcs[(it + 1) * output.mfreq + ij_idx] = c as f32;
|
||||
}
|
||||
}
|
||||
|
||||
#[cfg(test)]
|
||||
mod tests {
|
||||
use super::*;
|
||||
use approx::assert_relative_eq;
|
||||
|
||||
#[test]
|
||||
fn test_opadd0_constants() {
|
||||
assert_relative_eq!(FRRAY, 2.463e15, epsilon = 1e10);
|
||||
assert_relative_eq!(FRAYHE, 5.150e15, epsilon = 1e10);
|
||||
assert_relative_eq!(FRAYH2, 2.922e15, epsilon = 1e10);
|
||||
assert_relative_eq!(CLS, 2.997925e18, epsilon = 1e13);
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_opadd0_hi_rayleigh() {
|
||||
let params = Opadd0Params {
|
||||
ij: 1,
|
||||
ncon: 0,
|
||||
mcross: 10,
|
||||
irsct: 1,
|
||||
irsche: 0,
|
||||
irsch2: 0,
|
||||
ifmol: 0,
|
||||
iophmi: 0,
|
||||
ioph2p: 0,
|
||||
iophem: 0,
|
||||
ispodf: 0,
|
||||
};
|
||||
|
||||
let freq = vec![1e15];
|
||||
let freq_data = Opadd0FreqData {
|
||||
freq: &freq,
|
||||
ifreqb: None,
|
||||
};
|
||||
|
||||
let mut bfcs = vec![0.0f32; 10 * 1];
|
||||
let mut output = Opadd0OutputState {
|
||||
bfcs: &mut bfcs,
|
||||
mfreq: 1,
|
||||
};
|
||||
|
||||
opadd0(¶ms, &freq_data, &mut output);
|
||||
|
||||
// 验证 H I Rayleigh 截面被设置
|
||||
assert!(output.bfcs[0] > 0.0);
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_opadd0_all_sources() {
|
||||
let params = Opadd0Params {
|
||||
ij: 1,
|
||||
ncon: 0,
|
||||
mcross: 20,
|
||||
irsct: 1,
|
||||
irsche: 1,
|
||||
irsch2: 1,
|
||||
ifmol: 1,
|
||||
iophmi: 1,
|
||||
ioph2p: 1,
|
||||
iophem: 1,
|
||||
ispodf: 0,
|
||||
};
|
||||
|
||||
let freq = vec![1e15];
|
||||
let freq_data = Opadd0FreqData {
|
||||
freq: &freq,
|
||||
ifreqb: None,
|
||||
};
|
||||
|
||||
let mut bfcs = vec![0.0f32; 20 * 1];
|
||||
let mut output = Opadd0OutputState {
|
||||
bfcs: &mut bfcs,
|
||||
mfreq: 1,
|
||||
};
|
||||
|
||||
opadd0(¶ms, &freq_data, &mut output);
|
||||
|
||||
// 验证所有截面都被设置
|
||||
// H I Rayleigh (1)
|
||||
assert!(output.bfcs[0] > 0.0);
|
||||
// He I Rayleigh (2)
|
||||
assert!(output.bfcs[1] > 0.0);
|
||||
// H2 Rayleigh (3)
|
||||
assert!(output.bfcs[2] > 0.0);
|
||||
// H- (4)
|
||||
assert!(output.bfcs[3] > 0.0);
|
||||
// H2+ bf (5)
|
||||
// H2+ ff (6)
|
||||
// He- (7,8,9)
|
||||
}
|
||||
}
|
||||
418
src/math/opctab.rs
Normal file
418
src/math/opctab.rs
Normal file
@ -0,0 +1,418 @@
|
||||
//! 不透明度表插值与散射计算。
|
||||
//!
|
||||
//! 重构自 TLUSTY `opctab.f`
|
||||
//!
|
||||
//! 通过对预计算的不透明度表进行二维线性插值（温度-密度）来计算给定温度和密度下的吸收不透明度。
|
||||
//! 同时计算散射不透明度，包括：
|
||||
//! - Rayleigh 散射（简单公式或完整 rayleigh 函数）
|
||||
//! - 电子散射
|
||||
//!
|
||||
//! 这是一个简化版本，所有插值都是线性的，fortran中也是线性插值。
|
||||
|
||||
use crate::math::rayleigh::{rayleigh, RayleighParams};
|
||||
use crate::state::model::{EosPar, RaySct};
|
||||
|
||||
/// 参考频率 (FRRAY0)
|
||||
const FRRAY0: f64 = 5.0872638e14;
|
||||
|
||||
/// OPCTAB 输入参数
|
||||
pub struct OpctabParams<'a> {
|
||||
/// 频率 (Hz)
|
||||
pub fr: f64,
|
||||
/// 频率索引 (1-indexed)
|
||||
pub ij: usize,
|
||||
/// 深度索引 (1-indexed)
|
||||
pub id: usize,
|
||||
/// 温度 (K)
|
||||
pub t: f64,
|
||||
/// 密度 (g cm^-3)
|
||||
pub rho: f64,
|
||||
/// 克拉马标志 (0: 返回每克, 1: 返回每体积)
|
||||
pub igram: i32,
|
||||
/// 迭代次数
|
||||
pub iter: i32,
|
||||
/// Rayleigh 散射标志 (<0: 使用简单公式, >0: 调用 rayleigh, =0: 关闭)
|
||||
pub ifrayl: i32,
|
||||
/// 选项表标志 (<0: 添加电子散射)
|
||||
pub ioptab: i32,
|
||||
/// Rayleigh 参数 (当 ifrayl > 0 时需要)
|
||||
pub rayleigh_params: Option<&'a RayleighParams<'a>>,
|
||||
}
|
||||
|
||||
/// OPCTAB 表数据
|
||||
pub struct OpctabTableData<'a> {
|
||||
/// 温度数
|
||||
pub numtemp: usize,
|
||||
/// 深度点数
|
||||
pub nd: usize,
|
||||
/// 频率数
|
||||
pub nfreq: usize,
|
||||
/// 最大密度点数 (用于数组维度)
|
||||
pub max_numrh: usize,
|
||||
/// 温度向量 (numtemp)
|
||||
pub tempvec: &'a [f64],
|
||||
/// 温度下限 (ln T)
|
||||
pub ttab1: f64,
|
||||
/// 温度上限 (ln T)
|
||||
pub ttab2: f64,
|
||||
/// 每个温度的密度数 (numtemp)
|
||||
pub numrh: &'a [i32],
|
||||
/// 密度矩阵 (numtemp × max_numrh) - 存储 ln(rho)
|
||||
pub rhomat: &'a [f64],
|
||||
/// 吸收不透明度表 (numtemp × max_numrh × nfreq) - 存储 ln(opacity)
|
||||
pub absopac: &'a [f64],
|
||||
/// Rayleigh 散射系数 (nd)
|
||||
pub raysc: &'a [f64],
|
||||
/// 频率数组 (nfreq)
|
||||
pub freq: &'a [f64],
|
||||
/// 电子散射系数
|
||||
pub sige: f64,
|
||||
}
|
||||
|
||||
/// OPCTAB 模型状态
|
||||
pub struct OpctabModelState<'a> {
|
||||
/// 电子密度 (nd)
|
||||
pub elec: &'a [f64],
|
||||
/// 密度 (nd)
|
||||
pub dens: &'a [f64],
|
||||
/// Rayleigh 散射截面 (当 ifrayl > 0 时需要)
|
||||
pub raysct: Option<&'a mut RaySct>,
|
||||
/// EOS 粒子数密度 (当 ifrayl > 0 时需要)
|
||||
pub eospar: Option<&'a EosPar>,
|
||||
}
|
||||
|
||||
/// OPCTAB 输出
|
||||
pub struct OpctabOutput {
|
||||
/// 吸收不透明度
|
||||
pub ab: f64,
|
||||
/// 散射不透明度
|
||||
pub sc: f64,
|
||||
/// 总散射
|
||||
pub sct: f64,
|
||||
}
|
||||
|
||||
/// 通过插值计算不透明度。
|
||||
///
|
||||
/// # 参数
|
||||
///
|
||||
/// * `params` - 输入参数
|
||||
/// * `table` - 表数据
|
||||
/// * `model` - 模型状态
|
||||
///
|
||||
/// # 返回值
|
||||
///
|
||||
/// 不透明度输出结构
|
||||
///
|
||||
/// # Panics
|
||||
///
|
||||
/// 当 `ifrayl > 0` 但 `rayleigh_params`、`raysct` 或 `eospar` 为 `None` 时 panic。
|
||||
pub fn opctab(
|
||||
params: &OpctabParams,
|
||||
table: &OpctabTableData,
|
||||
model: &mut OpctabModelState,
|
||||
) -> OpctabOutput {
|
||||
let jf = params.ij;
|
||||
let id = params.id;
|
||||
let id_idx = id - 1;
|
||||
|
||||
// 检查是否直接使用预计算的值 (numtemp == nd)
|
||||
// Fortran: if(numtemp.eq.nd) then
|
||||
let opac = if table.numtemp == table.nd {
|
||||
// 直接使用当前深度点的值
|
||||
// Fortran: opac=absopac(id,1,jf)
|
||||
table.absopac[id_idx * table.max_numrh * table.nfreq + jf - 1]
|
||||
} else {
|
||||
compute_interpolated_opacity(params, table, jf)
|
||||
};
|
||||
|
||||
let ab = opac.exp();
|
||||
|
||||
// 散射计算
|
||||
let mut sct = 0.0;
|
||||
|
||||
// 1. Rayleigh 散射
|
||||
if params.ifrayl < 0 {
|
||||
// 简单公式: sct = raysc(id) * (freq(jf) / frray0)^4
|
||||
sct = table.raysc[id_idx] * (table.freq[jf - 1] / FRRAY0).powi(4);
|
||||
} else if params.ifrayl > 0 {
|
||||
// 调用完整的 rayleigh 函数
|
||||
let rayleigh_params = params
|
||||
.rayleigh_params
|
||||
.expect("rayleigh_params required when ifrayl > 0");
|
||||
let raysct = model
|
||||
.raysct
|
||||
.as_mut()
|
||||
.expect("raysct required when ifrayl > 0");
|
||||
let eospar = model
|
||||
.eospar
|
||||
.as_ref()
|
||||
.expect("eospar required when ifrayl > 0");
|
||||
|
||||
let scr = rayleigh(1, params.ij, params.id, rayleigh_params, raysct, eospar);
|
||||
sct = scr / model.dens[id_idx];
|
||||
}
|
||||
|
||||
// 电子散射
|
||||
if params.ioptab < 0 {
|
||||
sct = sct + table.sige * model.elec[id_idx] / params.rho;
|
||||
}
|
||||
|
||||
// 如果迭代次数 <= 0，直接返回
|
||||
if params.iter <= 0 {
|
||||
return OpctabOutput { ab, sc: sct, sct };
|
||||
}
|
||||
|
||||
// 根据 IGRAM 标志调整
|
||||
let (ab_out, sc_out, sct_out) = if params.igram == 0 {
|
||||
(ab * params.rho, sct * params.rho, sct * params.rho)
|
||||
} else {
|
||||
(ab, sct, sct)
|
||||
};
|
||||
|
||||
OpctabOutput {
|
||||
ab: ab_out,
|
||||
sc: sc_out,
|
||||
sct: sct_out,
|
||||
}
|
||||
}
|
||||
|
||||
/// 计算插值不透明度（内部函数）
|
||||
fn compute_interpolated_opacity(params: &OpctabParams, table: &OpctabTableData, jf: usize) -> f64 {
|
||||
let tl = params.t.ln();
|
||||
let deltat = (tl - table.ttab1) / (table.ttab2 - table.ttab1) * (table.numtemp - 1) as f64;
|
||||
|
||||
let mut jt = (1.0 + deltat.floor()) as isize;
|
||||
if jt < 1 {
|
||||
jt = 1;
|
||||
}
|
||||
if jt > table.numtemp as isize - 1 {
|
||||
jt = table.numtemp as isize - 1;
|
||||
}
|
||||
let jt = jt as usize;
|
||||
let jt_idx = jt - 1;
|
||||
|
||||
let t1i = table.tempvec[jt_idx];
|
||||
let t2i = table.tempvec[jt_idx + 1];
|
||||
let mut dti = (tl - t1i) / (t2i - t1i);
|
||||
if deltat < 0.0 {
|
||||
dti = 0.0;
|
||||
}
|
||||
|
||||
// 检查是否需要密度插值
|
||||
// Fortran: if(numrh(1).ne.1) then
|
||||
if table.numrh[0] != 1 {
|
||||
compute_2d_interpolation(params, table, jf, jt_idx, dti)
|
||||
} else {
|
||||
// 单密度情况: jr = 1 (Fortran), 所以 jr_idx = 0
|
||||
// Fortran: opac=absopac(jt,jr,jf)+(absopac(ju,jr,jf)-absopac(jt,jr,jf))*dti
|
||||
let jr_idx = 0; // jr = 1 in Fortran
|
||||
let idx_jt = jt_idx * table.max_numrh * table.nfreq + jr_idx * table.nfreq + (jf - 1);
|
||||
let idx_ju = (jt_idx + 1) * table.max_numrh * table.nfreq + jr_idx * table.nfreq + (jf - 1);
|
||||
table.absopac[idx_jt] + (table.absopac[idx_ju] - table.absopac[idx_jt]) * dti
|
||||
}
|
||||
}
|
||||
|
||||
/// 二维插值（温度和密度）
|
||||
fn compute_2d_interpolation(
|
||||
params: &OpctabParams,
|
||||
table: &OpctabTableData,
|
||||
jf: usize,
|
||||
jt_idx: usize,
|
||||
dti: f64,
|
||||
) -> f64 {
|
||||
let rl = params.rho.ln();
|
||||
|
||||
// 低温下的密度插值
|
||||
// Fortran: numrho=numrh(jt), rtab1=rhomat(jt,1), rtab2=rhomat(jt,numrho)
|
||||
let numrho = table.numrh[jt_idx] as usize;
|
||||
let rtab1 = table.rhomat[jt_idx * table.max_numrh];
|
||||
let rtab2 = table.rhomat[jt_idx * table.max_numrh + numrho - 1];
|
||||
|
||||
let deltar = (rl - rtab1) / (rtab2 - rtab1) * (numrho - 1) as f64;
|
||||
|
||||
let mut jr = (1.0 + deltar.floor()) as isize;
|
||||
if jr < 1 {
|
||||
jr = 1;
|
||||
}
|
||||
if jr > numrho as isize - 1 {
|
||||
jr = numrho as isize - 1;
|
||||
}
|
||||
let jr = jr as usize;
|
||||
let jr_idx = jr - 1;
|
||||
|
||||
// Fortran: r1i=rhomat(jt,jr), r2i=rhomat(jt,jr+1)
|
||||
let r1i = table.rhomat[jt_idx * table.max_numrh + jr_idx];
|
||||
let r2i = table.rhomat[jt_idx * table.max_numrh + jr_idx + 1];
|
||||
let mut dri = (rl - r1i) / (r2i - r1i);
|
||||
if deltar < 0.0 {
|
||||
dri = 0.0;
|
||||
}
|
||||
|
||||
// Fortran: opr1=absopac(jt,jr,jf)+dri*(absopac(jt,jr+1,jf)-absopac(jt,jr,jf))
|
||||
let idx_jt_jr = jt_idx * table.max_numrh * table.nfreq + jr_idx * table.nfreq + (jf - 1);
|
||||
let idx_jt_jrp1 = jt_idx * table.max_numrh * table.nfreq + (jr_idx + 1) * table.nfreq + (jf - 1);
|
||||
let opr1 =
|
||||
table.absopac[idx_jt_jr] + dri * (table.absopac[idx_jt_jrp1] - table.absopac[idx_jt_jr]);
|
||||
|
||||
// 高温下的密度插值
|
||||
// Fortran: ju=jt+1, numrho=numrh(ju)
|
||||
let ju_idx = jt_idx + 1;
|
||||
let numrho_h = table.numrh[ju_idx] as usize;
|
||||
let rtab1_h = table.rhomat[ju_idx * table.max_numrh];
|
||||
let rtab2_h = table.rhomat[ju_idx * table.max_numrh + numrho_h - 1];
|
||||
|
||||
let deltar_h = (rl - rtab1_h) / (rtab2_h - rtab1_h) * (numrho_h - 1) as f64;
|
||||
|
||||
let mut jr_h = (1.0 + deltar_h.floor()) as isize;
|
||||
if jr_h < 1 {
|
||||
jr_h = 1;
|
||||
}
|
||||
if jr_h > numrho_h as isize - 1 {
|
||||
jr_h = numrho_h as isize - 1;
|
||||
}
|
||||
let jr_h = jr_h as usize;
|
||||
let jr_h_idx = jr_h - 1;
|
||||
|
||||
let r1i_h = table.rhomat[ju_idx * table.max_numrh + jr_h_idx];
|
||||
let r2i_h = table.rhomat[ju_idx * table.max_numrh + jr_h_idx + 1];
|
||||
let mut dri_h = (rl - r1i_h) / (r2i_h - r1i_h);
|
||||
if deltar_h < 0.0 {
|
||||
dri_h = 0.0;
|
||||
}
|
||||
|
||||
// Fortran: opr2=absopac(ju,jr,jf)+dri*(absopac(ju,jr+1,jf)-absopac(ju,jr,jf))
|
||||
let idx_ju_jr = ju_idx * table.max_numrh * table.nfreq + jr_h_idx * table.nfreq + (jf - 1);
|
||||
let idx_ju_jrp1 = ju_idx * table.max_numrh * table.nfreq + (jr_h_idx + 1) * table.nfreq + (jf - 1);
|
||||
let opr2 = table.absopac[idx_ju_jr]
|
||||
+ dri_h * (table.absopac[idx_ju_jrp1] - table.absopac[idx_ju_jr]);
|
||||
|
||||
// Fortran: opac=opr1+(opr2-opr1)*dti
|
||||
opr1 + (opr2 - opr1) * dti
|
||||
}
|
||||
|
||||
#[cfg(test)]
|
||||
mod tests {
|
||||
use super::*;
|
||||
use approx::assert_relative_eq;
|
||||
|
||||
#[test]
|
||||
fn test_opctab_constants() {
|
||||
assert_relative_eq!(FRRAY0, 5.0872638e14, epsilon = 1e9);
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_opctab_direct_value() {
|
||||
let params = OpctabParams {
|
||||
fr: 1e15,
|
||||
ij: 1,
|
||||
id: 1,
|
||||
t: 10000.0,
|
||||
rho: 1e-7,
|
||||
igram: 0,
|
||||
iter: 1,
|
||||
ifrayl: -1,
|
||||
ioptab: 0,
|
||||
rayleigh_params: None,
|
||||
};
|
||||
|
||||
let numtemp = 1;
|
||||
let nd = 1;
|
||||
let nfreq = 1;
|
||||
let max_numrh = 1;
|
||||
let tempvec = vec![9.2103];
|
||||
let numrh = vec![1];
|
||||
let rhomat = vec![-16.1181];
|
||||
let absopac = vec![0.0];
|
||||
let raysc = vec![1e-20];
|
||||
let freq = vec![5.0872638e14];
|
||||
|
||||
let table = OpctabTableData {
|
||||
numtemp,
|
||||
nd,
|
||||
nfreq,
|
||||
max_numrh,
|
||||
tempvec: &tempvec,
|
||||
ttab1: 8.0,
|
||||
ttab2: 11.0,
|
||||
numrh: &numrh,
|
||||
rhomat: &rhomat,
|
||||
absopac: &absopac,
|
||||
raysc: &raysc,
|
||||
freq: &freq,
|
||||
sige: 6.65e-25,
|
||||
};
|
||||
|
||||
let elec = vec![1e-10];
|
||||
let dens = vec![1e-7];
|
||||
let mut model = OpctabModelState {
|
||||
elec: &elec,
|
||||
dens: &dens,
|
||||
raysct: None,
|
||||
eospar: None,
|
||||
};
|
||||
|
||||
let result = opctab(¶ms, &table, &mut model);
|
||||
|
||||
// 当 numtemp == nd 时，直接使用 absopac(id, 1, jf) = 0.0
|
||||
// ab = exp(0.0) * rho = 1.0 * 1e-7 = 1e-7
|
||||
assert_relative_eq!(result.ab, 1e-7, epsilon = 1e-10);
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_opctab_rayleigh_scattering() {
|
||||
let params = OpctabParams {
|
||||
fr: 1e15,
|
||||
ij: 1,
|
||||
id: 1,
|
||||
t: 10000.0,
|
||||
rho: 1e-7,
|
||||
igram: 0,
|
||||
iter: 1,
|
||||
ifrayl: -1,
|
||||
ioptab: 0,
|
||||
rayleigh_params: None,
|
||||
};
|
||||
|
||||
let numtemp = 1;
|
||||
let nd = 1;
|
||||
let nfreq = 1;
|
||||
let max_numrh = 1;
|
||||
let tempvec = vec![9.2103];
|
||||
let numrh = vec![1];
|
||||
let rhomat = vec![-16.1181];
|
||||
let absopac = vec![0.0];
|
||||
let raysc = vec![1e-20];
|
||||
let freq = vec![5.0872638e14];
|
||||
|
||||
let table = OpctabTableData {
|
||||
numtemp,
|
||||
nd,
|
||||
nfreq,
|
||||
max_numrh,
|
||||
tempvec: &tempvec,
|
||||
ttab1: 8.0,
|
||||
ttab2: 11.0,
|
||||
numrh: &numrh,
|
||||
rhomat: &rhomat,
|
||||
absopac: &absopac,
|
||||
raysc: &raysc,
|
||||
freq: &freq,
|
||||
sige: 6.65e-25,
|
||||
};
|
||||
|
||||
let elec = vec![1e-10];
|
||||
let dens = vec![1e-7];
|
||||
let mut model = OpctabModelState {
|
||||
elec: &elec,
|
||||
dens: &dens,
|
||||
raysct: None,
|
||||
eospar: None,
|
||||
};
|
||||
|
||||
let result = opctab(¶ms, &table, &mut model);
|
||||
|
||||
// Rayleigh 散射 = raysc * (freq/frray0)^4 * rho
|
||||
// = 1e-20 * 1.0^4 * 1e-7 = 1e-27
|
||||
assert_relative_eq!(result.sct, 1e-27, epsilon = 1e-30);
|
||||
}
|
||||
}
|
||||
369
src/math/ratmat.rs
Normal file
369
src/math/ratmat.rs
Normal file
@ -0,0 +1,369 @@
|
||||
//! 速率矩阵计算 - RATMAT。
|
||||
//!
|
||||
//! 重构自 TLUSTY `ratmat.f`
|
||||
//!
|
||||
//! 计算统计平衡方程的速率矩阵 A 和右端向量 B。
|
||||
//!
|
||||
//! 方程形式为：A * n = B，其中 n 是能级占据数向量。
|
||||
//!
|
||||
//! 参考：Mihalas, 1978, pp.138-139
|
||||
|
||||
use crate::math::reflev::reflev;
|
||||
use crate::state::atomic::AtomicData;
|
||||
use crate::state::config::TlustyConfig;
|
||||
use crate::state::constants::{HK, MLEVEL, UN};
|
||||
use crate::state::iterat::IterControl;
|
||||
use crate::state::model::ModelState;
|
||||
|
||||
/// RATMAT 输入参数
|
||||
pub struct RatmatParams<'a> {
|
||||
/// 深度索引 (1-indexed)
|
||||
pub id: usize,
|
||||
/// 能级索引数组 (可能为负)
|
||||
pub iical: &'a mut [i32],
|
||||
/// 模式标志 (<0: 特殊模式, 0: 正常, >0: 调用 REFLEV)
|
||||
pub imode: i32,
|
||||
}
|
||||
|
||||
/// RATMAT 输出
|
||||
pub struct RatmatOutput {
|
||||
/// 速率矩阵 A (MLEVEL × MLEVEL)
|
||||
pub a: Vec<Vec<f64>>,
|
||||
/// 右端向量 B (MLEVEL)
|
||||
pub b: Vec<f64>,
|
||||
}
|
||||
|
||||
/// 计算速率矩阵。
|
||||
///
|
||||
/// # 参数
|
||||
///
|
||||
/// * `params` - 输入参数
|
||||
/// * `config` - 配置
|
||||
/// * `atomic` - 原子数据
|
||||
/// * `model` - 模型状态
|
||||
/// * `iterat` - 迭代控制
|
||||
///
|
||||
/// # 返回值
|
||||
///
|
||||
/// 速率矩阵 A 和右端向量 B
|
||||
pub fn ratmat(
|
||||
params: &mut RatmatParams,
|
||||
config: &mut TlustyConfig,
|
||||
atomic: &mut AtomicData,
|
||||
model: &mut ModelState,
|
||||
iterat: &IterControl,
|
||||
) -> RatmatOutput {
|
||||
let id = params.id;
|
||||
let id_idx = id - 1;
|
||||
|
||||
// 检查选项表标志
|
||||
if config.basnum.ioptab < 0 {
|
||||
return RatmatOutput {
|
||||
a: vec![vec![0.0; MLEVEL]; MLEVEL],
|
||||
b: vec![0.0; MLEVEL],
|
||||
};
|
||||
}
|
||||
|
||||
let nlevel = config.basnum.nlevel as usize;
|
||||
let ntrans = config.basnum.ntrans as usize;
|
||||
let natom = config.basnum.natom as usize;
|
||||
let lte = config.inppar.lte;
|
||||
let ipslte = config.inppar.ipslte;
|
||||
|
||||
// 如果使用 Slater 迭代，清零辐射速率
|
||||
if ipslte != 0 {
|
||||
for itr in 0..ntrans {
|
||||
model.rrrates.rru[itr][id_idx] = 0.0;
|
||||
model.rrrates.rrd[itr][id_idx] = 0.0;
|
||||
model.rrrates.drdt[itr][id_idx] = 0.0;
|
||||
}
|
||||
}
|
||||
|
||||
// 初始化输出
|
||||
let mut a = vec![vec![0.0; MLEVEL]; MLEVEL];
|
||||
let mut b = vec![0.0; MLEVEL];
|
||||
|
||||
// 工作数组
|
||||
let mut aij = vec![0.0; ntrans.max(1)];
|
||||
let mut aji = vec![0.0; ntrans.max(1)];
|
||||
let mut sbw = vec![0.0; MLEVEL];
|
||||
let mut llte = vec![false; MLEVEL];
|
||||
|
||||
// 获取物理量
|
||||
let t = model.modpar.temp[id_idx];
|
||||
let ane = model.modpar.elec[id_idx];
|
||||
let hkt = HK / t;
|
||||
let tk = hkt / HK;
|
||||
|
||||
// 初始化
|
||||
for i in 0..nlevel {
|
||||
b[i] = 0.0;
|
||||
sbw[i] = ane * model.levpop.sbf[i] * model.wmcomp.wop[i][id_idx];
|
||||
llte[i] = false;
|
||||
|
||||
// 设置 LTE 标志
|
||||
let iel_i = atomic.levpar.iel[i] as usize;
|
||||
let ilt = atomic.ionpar.iltion[iel_i];
|
||||
let llt = ilt == 1 && params.imode == 0;
|
||||
llte[i] = llt || lte || atomic.ionpar.iltlev[i] >= 1 || ilt >= 2;
|
||||
llte[i] = llte[i] || id >= config.inppar.idlte as usize;
|
||||
|
||||
for j in 0..nlevel {
|
||||
a[j][i] = 0.0;
|
||||
}
|
||||
}
|
||||
|
||||
// 确定参考能级
|
||||
if params.imode != 0 {
|
||||
reflev(id, params.imode.abs(), config, atomic, model, iterat);
|
||||
}
|
||||
|
||||
// 第一部分：LTE 情况下的简化表达式
|
||||
for iat in 0..natom {
|
||||
if atomic.atopar.iifix[iat] != 1 || params.imode < 0 {
|
||||
let nrefi = atomic.atopar.nrefs[iat][id_idx] as usize;
|
||||
let n0 = atomic.atopar.n0a[iat] as usize;
|
||||
let nk = atomic.atopar.nka[iat] as usize;
|
||||
|
||||
for i in n0..=nk {
|
||||
let ii = params.iical[i].abs() as usize;
|
||||
if i != nrefi && ii != 0 && llte[i] {
|
||||
a[ii][ii] = UN;
|
||||
let n = params.iical[model.levref.ilterf[i][id_idx] as usize].abs() as usize;
|
||||
a[ii][n] = a[ii][n] - model.levref.sblpsi[i][id_idx];
|
||||
}
|
||||
}
|
||||
}
|
||||
}
|
||||
|
||||
// 第二部分：NLTE 速率方程
|
||||
if !lte {
|
||||
// 计算跃迁速率
|
||||
for itr in 0..ntrans {
|
||||
let i = atomic.trapar.ilow[itr] as usize;
|
||||
if atomic.atopar.iifix[atomic.trapar.iatm[i] as usize] == 1 {
|
||||
continue;
|
||||
}
|
||||
let j = atomic.trapar.iup[itr] as usize;
|
||||
let nke = atomic.ionpar.nnext[atomic.levpar.iel[i] as usize] as usize;
|
||||
|
||||
// 向上总速率
|
||||
aij[itr] = (model.rrrates.colrat[itr][id_idx] + model.rrrates.rru[itr][id_idx])
|
||||
* model.wmcomp.wop[j][id_idx];
|
||||
|
||||
// 向下总速率
|
||||
if atomic.trapar.line[itr] {
|
||||
// 束缚-束缚跃迁
|
||||
aji[itr] = (model.rrrates.coltar[itr][id_idx]
|
||||
+ model.rrrates.rrd[itr][id_idx]
|
||||
* atomic.levpar.g[i] / atomic.levpar.g[j]
|
||||
* (hkt * atomic.trapar.fr0[itr]).exp())
|
||||
* model.wmcomp.wop[i][id_idx];
|
||||
} else {
|
||||
// 束缚-自由跃迁
|
||||
let corr = if nke != j {
|
||||
atomic.levpar.g[nke] / atomic.levpar.g[j]
|
||||
* ((atomic.levpar.enion[nke] - atomic.levpar.enion[j]) * tk).exp()
|
||||
} else {
|
||||
UN
|
||||
};
|
||||
aji[itr] = model.rrrates.coltar[itr][id_idx] * model.wmcomp.wop[i][id_idx]
|
||||
+ model.rrrates.rrd[itr][id_idx] * sbw[i] * corr;
|
||||
}
|
||||
|
||||
// 处理负索引
|
||||
if params.iical[i] < 0 && params.iical[j] < 0 {
|
||||
aij[itr] *= model.levref.sbpsi[i][id_idx];
|
||||
aji[itr] *= model.levref.sbpsi[j][id_idx];
|
||||
}
|
||||
}
|
||||
|
||||
// 填充速率矩阵
|
||||
for itr in 0..ntrans {
|
||||
let i = atomic.trapar.ilow[itr] as usize;
|
||||
if atomic.atopar.iifix[atomic.trapar.iatm[i] as usize] == 1 {
|
||||
continue;
|
||||
}
|
||||
let nrefi = atomic.atopar.nrefs[atomic.trapar.iatm[i] as usize][id_idx] as usize;
|
||||
let j = atomic.trapar.iup[itr] as usize;
|
||||
let ii = params.iical[i].abs() as usize;
|
||||
let jj = params.iical[j].abs() as usize;
|
||||
|
||||
if model.popzr0.ipzero[i][id_idx] != 0 || model.popzr0.ipzero[j][id_idx] != 0 {
|
||||
continue;
|
||||
}
|
||||
|
||||
// 下能级贡献
|
||||
if i != nrefi && ii > 0 && !llte[i] {
|
||||
a[ii][ii] += aij[itr];
|
||||
if jj > 0 {
|
||||
a[ii][jj] -= aji[itr];
|
||||
} else {
|
||||
let jjj = params.iical[model.levref.iltref[j][id_idx] as usize] as usize;
|
||||
a[ii][jjj] -= aji[itr] * model.levref.sbpsi[j][id_idx];
|
||||
}
|
||||
}
|
||||
|
||||
// 上能级贡献
|
||||
if j != nrefi && jj > 0 && !llte[j] {
|
||||
a[jj][jj] += aji[itr];
|
||||
if ii > 0 {
|
||||
a[jj][ii] -= aij[itr];
|
||||
} else {
|
||||
let iii = params.iical[model.levref.iltref[i][id_idx] as usize] as usize;
|
||||
a[jj][iii] -= aij[itr] * model.levref.sbpsi[i][id_idx];
|
||||
}
|
||||
}
|
||||
}
|
||||
}
|
||||
|
||||
// 重置"小"占据数的速率矩阵元素
|
||||
for i in 0..nlevel {
|
||||
let ii = params.iical[i];
|
||||
if ii > 0 {
|
||||
let ii_idx = ii as usize;
|
||||
if model.popzr0.ipzero[i][id_idx] > 0 {
|
||||
for j in 0..nlevel {
|
||||
a[ii_idx][j] = 0.0;
|
||||
}
|
||||
a[ii_idx][ii_idx] = 1.0;
|
||||
}
|
||||
} else if ii < 0 {
|
||||
let ii_idx = (-ii) as usize;
|
||||
if model.popzr0.igzero[ii_idx - 1][id_idx] > 0 {
|
||||
for j in 0..nlevel {
|
||||
a[ii_idx - 1][j] = 0.0;
|
||||
}
|
||||
a[ii_idx - 1][ii_idx - 1] = 1.0;
|
||||
}
|
||||
}
|
||||
}
|
||||
|
||||
// 第三部分：丰度定义方程
|
||||
for iat in 0..natom {
|
||||
if atomic.atopar.iifix[iat] == 1 && params.imode >= 0 {
|
||||
continue;
|
||||
}
|
||||
let nrefii = params.iical[atomic.atopar.nrefs[iat][id_idx] as usize].abs() as usize;
|
||||
let n0 = atomic.atopar.n0a[iat] as usize;
|
||||
let nk = atomic.atopar.nka[iat] as usize;
|
||||
|
||||
for i in n0..=nk {
|
||||
let il = atomic.levpar.ilk[i];
|
||||
let ii = params.iical[i];
|
||||
if ii > 0 {
|
||||
let ii_idx = ii as usize;
|
||||
a[nrefii][ii_idx] += UN;
|
||||
if il != 0 {
|
||||
a[nrefii][ii_idx] += ane * model.levpop.usum[il as usize];
|
||||
}
|
||||
} else if ii < 0 {
|
||||
let ii_idx = (-ii) as usize;
|
||||
a[nrefii][ii_idx - 1] += model.levref.sbpsi[i][id_idx];
|
||||
if il != 0 {
|
||||
a[nrefii][ii_idx - 1] +=
|
||||
ane * model.levpop.usum[il as usize] * model.levref.sbpsi[i][id_idx];
|
||||
}
|
||||
} else {
|
||||
let iii = params.iical[model.levref.iltref[i][id_idx] as usize] as usize;
|
||||
if iii > 0 && iii <= nlevel {
|
||||
a[nrefii][iii - 1] += model.levref.sbpsi[i][id_idx];
|
||||
}
|
||||
}
|
||||
}
|
||||
|
||||
b[nrefii] += model.modpar.dens[id_idx]
|
||||
/ model.modpar.wmm[id_idx]
|
||||
/ model.modpar.ytot[id_idx]
|
||||
* atomic.atopar.abund[iat][id_idx];
|
||||
}
|
||||
|
||||
RatmatOutput { a, b }
|
||||
}
|
||||
|
||||
#[cfg(test)]
|
||||
mod tests {
|
||||
use super::*;
|
||||
|
||||
#[test]
|
||||
fn test_ratmat_ioptab_negative() {
|
||||
let mut config = TlustyConfig::default();
|
||||
let mut atomic = AtomicData::default();
|
||||
let mut model = ModelState::default();
|
||||
let iterat = IterControl::default();
|
||||
|
||||
config.basnum.ioptab = -1;
|
||||
config.basnum.nlevel = 10;
|
||||
config.basnum.ntrans = 5;
|
||||
config.basnum.natom = 1;
|
||||
|
||||
let mut iical = vec![0; MLEVEL];
|
||||
let mut params = RatmatParams {
|
||||
id: 1,
|
||||
iical: &mut iical,
|
||||
imode: 0,
|
||||
};
|
||||
|
||||
let result = ratmat(&mut params, &mut config, &mut atomic, &mut model, &iterat);
|
||||
|
||||
// 当 ioptab < 0 时，应返回零矩阵
|
||||
assert_eq!(result.a.len(), MLEVEL);
|
||||
assert_eq!(result.b.len(), MLEVEL);
|
||||
for i in 0..MLEVEL {
|
||||
assert_relative_eq!(result.b[i], 0.0);
|
||||
}
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_ratmat_basic_lte() {
|
||||
let mut config = TlustyConfig::default();
|
||||
let mut atomic = AtomicData::default();
|
||||
let mut model = ModelState::default();
|
||||
let iterat = IterControl::default();
|
||||
|
||||
config.basnum.ioptab = 0;
|
||||
config.basnum.nlevel = 5;
|
||||
config.basnum.ntrans = 3;
|
||||
config.basnum.natom = 1;
|
||||
config.inppar.lte = true;
|
||||
|
||||
atomic.atopar.n0a[0] = 0;
|
||||
atomic.atopar.nka[0] = 4;
|
||||
atomic.atopar.nrefs[0][0] = 2;
|
||||
atomic.atopar.iifix[0] = 0;
|
||||
|
||||
atomic.levpar.iel[0] = 0;
|
||||
atomic.levpar.iel[1] = 0;
|
||||
atomic.levpar.iel[2] = 1;
|
||||
atomic.levpar.iel[3] = 1;
|
||||
atomic.levpar.iel[4] = 1;
|
||||
atomic.levpar.ilk[0] = 0;
|
||||
atomic.levpar.ilk[1] = 0;
|
||||
atomic.levpar.ilk[2] = 1;
|
||||
atomic.levpar.ilk[3] = 0;
|
||||
atomic.levpar.ilk[4] = 0;
|
||||
|
||||
atomic.ionpar.iltion[0] = 1;
|
||||
atomic.ionpar.iltion[1] = 1;
|
||||
|
||||
model.modpar.temp[0] = 10000.0;
|
||||
model.modpar.elec[0] = 1e12;
|
||||
model.modpar.dens[0] = 1e14;
|
||||
model.modpar.wmm[0] = 1.0;
|
||||
model.modpar.ytot[0] = 1.0;
|
||||
atomic.atopar.abund[0][0] = 1.0;
|
||||
|
||||
let mut iical = vec![1, 2, 3, 4, 5];
|
||||
let mut params = RatmatParams {
|
||||
id: 1,
|
||||
iical: &mut iical,
|
||||
imode: 0,
|
||||
};
|
||||
|
||||
let result = ratmat(&mut params, &mut config, &mut atomic, &mut model, &iterat);
|
||||
|
||||
// 验证矩阵维度
|
||||
assert_eq!(result.a.len(), MLEVEL);
|
||||
assert_eq!(result.b.len(), MLEVEL);
|
||||
}
|
||||
}
|
||||
@ -144,14 +144,20 @@ pub struct FixAlp {
|
||||
pub dsfdt: Vec<f64>,
|
||||
/// 源函数 N 导数
|
||||
pub dsfdn: Vec<f64>,
|
||||
/// 源函数 M 导数
|
||||
pub dsfdm: Vec<f64>,
|
||||
/// 前深度源函数 T 导数
|
||||
pub dsfdtm: Vec<f64>,
|
||||
/// 前深度源函数 N 导数
|
||||
pub dsfdnm: Vec<f64>,
|
||||
/// 前深度源函数 M 导数
|
||||
pub dsfdmm: Vec<f64>,
|
||||
/// 后深度源函数 T 导数
|
||||
pub dsfdtp: Vec<f64>,
|
||||
/// 后深度源函数 N 导数
|
||||
pub dsfdnp: Vec<f64>,
|
||||
/// 后深度源函数 M 导数
|
||||
pub dsfdmp: Vec<f64>,
|
||||
|
||||
// 源函数能级导数 (MLVEXP × MDEPTH)
|
||||
/// 源函数能级导数
|
||||
@ -271,10 +277,13 @@ impl Default for FixAlp {
|
||||
// 源函数导数
|
||||
dsfdt: vec![0.0; MDEPTH],
|
||||
dsfdn: vec![0.0; MDEPTH],
|
||||
dsfdm: vec![0.0; MDEPTH],
|
||||
dsfdtm: vec![0.0; MDEPTH],
|
||||
dsfdnm: vec![0.0; MDEPTH],
|
||||
dsfdmm: vec![0.0; MDEPTH],
|
||||
dsfdtp: vec![0.0; MDEPTH],
|
||||
dsfdnp: vec![0.0; MDEPTH],
|
||||
dsfdmp: vec![0.0; MDEPTH],
|
||||
|
||||
// 源函数能级导数
|
||||
dsfdp: vec![vec![0.0; MDEPTH]; MLVEXP],
|
||||
|
||||
Loading…
Reference in New Issue
Block a user