git push -u origin main

2026-03-19 14:05:33 +08:00
commit 1e30b7bc63
739 changed files with 572150 additions and 0 deletions
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+      subroutine molini
+c     =================
+c
+c     Initialization of the molecular equilibrium
+c
+      INCLUDE 'PARAMS.FOR'
+      INCLUDE 'MODELP.FOR'
+      common/moltst/pfmol(600,mdepth),anmol(600,mdepth),
+     *              pfato(100,mdepth),anato(100,mdepth),
+     *              pfion(100,mdepth),anion(100,mdepth)
+      dimension hpo(mdepth)
+c
+      aeinit=1.0
+c
+      do 10 id=1,nd
+         t=temp(id)
+         tln=log(t)*1.5
+         thl=11605./t
+         t32=exp(tln)
+
+         do i=1,MMOLEC
+            rrmol(i,id)=0.
+         end do
+ 
+         hpo(id)=DENS(ID)/WMM(ID)/YTOT(ID)
+
+         if(t.gt.tmolim) go to 10
+         HPOP=DENS(ID)/WMM(ID)/YTOT(ID)
+
+         an=dens(id)/wmm(id)+elec(id)
+         aeinit=0.1*an
+         if(t.lt.4000.) aeinit=0.01*an
+         call moleq(id,t,an,aeinit,ane,0)
+         
+
+c     next initial guess will be the last ane determined for
+c     previous depth point
+
+         aeinit=ane
+c
+         if (id.eq.idstd) then
+            write(6,600)
+            nmol=nmolec
+            if(id.eq.1) nmol=32
+            do i=1,nmol
+               write(6,601) i, cmol(i), rrmol(i,id), rrmol(i,id)/hpop
+            end do
+         end if
+ 600     format(/ 'Molecular number densities at the standard depth'/)
+ 601     format(i4,1x,A8,1x,1pe12.2,1x,e12.2)
+
+   10 continue
+
+
+c     update atomic populations once molecular densities are calculated
+
+      if(imode.lt.-4) then
+      do i=1,nlevel
+         iat=numat(iatm(i))
+         ion=iz(iel(i))
+         ii=nfirst(iel(i))
+         ener=(enion(ii)-enion(i))/bolk
+         if((enion(i).eq.0).and.(ilk(i).gt.0)) then
+            ener=0.
+            ion=ion+1
+         end if
+         if(ifwop(i).ge.0) then
+            do id=1,nd
+               popul(i,id)=rrr(id,ion,iat)*g(i)
+     *              *exp(-ener/temp(id))
+               if(iat.eq.1.and.ion.eq.0) popul(i,id)=anhm(id)
+            end do
+         endif
+      end do
+      end if
+c
+      return
+      end