SpectraRust/tlusty/extracted/opacfd.f
2026-03-19 14:05:33 +08:00

522 lines
15 KiB
Fortran

SUBROUTINE OPACFD(IJ)
C =====================
C
C Absorption and emission coefficients, and their derivatives
C
C This procedure is very similar to OPACF1, the only differences is
C the evaluation of derivatives
C
C Input:
C IJ - depth index
C Output:
C ABSO1 - array of absorption coefficient
C EMIS1 - array of emission coefficient
C SCAT1 - array of scattering coefficient
C Dxxy - array of derivatives of xx (=AB for absorption, =EM for
C emission) coefficient wrt y (=T for temperature, =N for
C electron density)
C
INCLUDE 'IMPLIC.FOR'
INCLUDE 'BASICS.FOR'
INCLUDE 'ATOMIC.FOR'
INCLUDE 'MODELQ.FOR'
INCLUDE 'ODFPAR.FOR'
INCLUDE 'ALIPAR.FOR'
INCLUDE 'ARRAY1.FOR'
INCLUDE 'ITERAT.FOR'
PARAMETER (C14=2.99793D14, CFF1=1.3727D-25)
PARAMETER (DELT=1.D-3, DELR=1.D-3)
common/hmolab/anh2(mdepth),anhm(mdepth)
DIMENSION DABP0(MLEVEL),DEMP0(MLEVEL)
DIMENSION DABN1A(MDEPTH),DEMN1A(MDEPTH),DSCN1A(MDEPTH)
common/dsctva/dsct1(mdepth),dscn1(mdepth)
common/rhoder/drhodt(mdepth)
c
if(ioptab.lt.0) then
call opactd(ij)
return
end if
C
C initialize
c
DO ID=1,ND
ELSCAT(ID)=ELEC(ID)*SIGEC(IJ)
END DO
C
DO ID=1,ND
ABSO1(ID)=0.
EMIS1(ID)=0.
SCAT1(ID)=ELSCAT(ID)
DABT1(ID)=0.
DEMT1(ID)=0.
DABN1(ID)=SIGEC(IJ)
DEMN1(ID)=0.
ABSFF(ID)=0.
DABFT(ID)=0.
DABFN(ID)=0.
DO II=1,NLEVEL
DABP1(II,ID)=0.
DEMP1(II,ID)=0.
END DO
END DO
C
C basic frequency- and depth-dependent quantities
C
FR=FREQ(IJ)
lfre=fr.gt.frtabm
FRINV=UN/FR
FR3INV=FRINV*FRINV*FRINV
DO ID=1,ND
XKF(ID)=EXP(-HKT1(ID)*FR)
XKF1(ID)=UN-XKF(ID)
XKFB(ID)=XKF(ID)*BNUE(IJ)
END DO
C
C ******** 1a. bound-free contribution - without dielectronic rec.
C
if(ifdiel.eq.0) then
DO IBFT=1,NTRANC
ITR=ITRBF(IBFT)
II=ILOW(ITR)
iad=iadop(iatm(ii))
lcomop=iad.eq.0.or.(lfre.and.iad.gt.0)
SG=CROSS(IBFT,IJ)
IF(SG.GT.0..and.lcomop) THEN
II=ILOW(ITR)
JJ=IUP(ITR)
IZZ=IZ(IEL(II))
IMER=IMRG(II)
DO ID=1,ND
SGD=SG
IF(MCDW(ITR).GT.0) THEN
CALL DWNFR1(FR,FR0(ITR),ID,IZZ,DW1)
DWF1(MCDW(ITR),ID)=DW1
SGD=SG*DW1
END IF
IF(IFWOP(II).LT.0) THEN
CALL SGMER1(FRINV,FR3INV,IMER,ID,SGME1)
SGMG(IMER,ID)=SGME1
SGD=SGME1
END IF
EMISBF=SGD*EMTRA(ITR,ID)
ABSO1(ID)=ABSO1(ID)+SGD*ABTRA(ITR,ID)
EMIS1(ID)=EMIS1(ID)+EMISBF
if(iifix(iatm(ii)).le.0) then
DEMT1(ID)=DEMT1(ID)+EMISBF*DEMLT(ITR,ID)
DEMN1(ID)=DEMN1(ID)+EMISBF*ELEC1(ID)
DEMP1(JJ,ID)=DEMP1(JJ,ID)+EMISBF*POPINV(JJ,ID)
if(ipzero(ii,id).eq.0) DABP1(II,ID)=DABP1(II,ID)+SGD
end if
END DO
END IF
END DO
C
C ******** 1b. bound-free contribution - with dielectronic rec.
C
else
DO IBFT=1,NTRANC
ITR=ITRBF(IBFT)
II=ILOW(ITR)
SG=CROSS(IBFT,IJ)
iad=iadop(iatm(ii))
lcomop=iad.eq.0.or.(lfre.and.iad.gt.0)
IF(SG.GT.0..and.lcomop) THEN
JJ=IUP(ITR)
IZZ=IZ(IEL(II))
IMER=IMRG(II)
DO ID=1,ND
SG=CROSSD(IBFT,IJ,ID)
if(sg.gt.0.) then
SGD=SG
IF(MCDW(ITR).GT.0) THEN
CALL DWNFR1(FR,FR0(ITR),ID,IZZ,DW1)
DWF1(MCDW(ITR),ID)=DW1
SGD=SG*DW1
END IF
IF(IFWOP(II).LT.0) THEN
CALL SGMER1(FRINV,FR3INV,IMER,ID,SGME1)
SGMG(IMER,ID)=SGME1
SGD=SGME1
END IF
EMISBF=SGD*EMTRA(ITR,ID)
ABSO1(ID)=ABSO1(ID)+SGD*ABTRA(ITR,ID)
EMIS1(ID)=EMIS1(ID)+EMISBF
if(iifix(iatm(ii)).le.0) then
DEMT1(ID)=DEMT1(ID)+EMISBF*DEMLT(ITR,ID)
DEMN1(ID)=DEMN1(ID)+EMISBF*ELEC1(ID)
DEMP1(JJ,ID)=DEMP1(JJ,ID)+EMISBF*POPINV(JJ,ID)
if(ipzero(ii,id).eq.0) DABP1(II,ID)=DABP1(II,ID)+SGD
end if
end if
END DO
END IF
END DO
end if
C
C ******** 2. free-free contribution
C
DO 40 ION=1,NION
II=NNEXT(ION)
IT=ITRA(II,II)
C
C hydrogenic (with Gaunt factor = 1 for IT=1; exact for IT=2)
C (derivative of Gaunt factor wrt T is neglected)
C
iad=iadop(iatm(nnext(ion)))
if(iad.gt.0.and..not.lfre) go to 40
IF(IT.LE.2) THEN
DO ID=1,ND
SF1=SFF3(ION,ID)*FR3INV
SF2=SFF2(ION,ID)
DSF2=DSFF(ION,ID)
IF(FR.LT.FF(ION)) THEN
SF2=UN/XKF(ID)
DSF2=(HKT1(ID)*FR+HALF)*TEMP1(ID)
END IF
IF(IT.EQ.2) THEN
X=C14*CHARG2(ION)/FR
SF2=SF2-UN+GFREE1(ID,X)
ELSE IF(IT.EQ.3) THEN
CALL GFREED(ID,FR,CHARG2(ION),GFR,DGFR)
SF2=SF2-UN+GFR
DSF2=DSF2-(DGFR-(GFR-UN)*TEMP1(ID)*HALF)/SF2
END IF
ABSOFF=SF1*SF2
ABSFF(ID)=ABSFF(ID)+ABSOFF
if(iifix(iatm(ii)).eq.0) then
DABFT(ID)=DABFT(ID)-ABSOFF*DSF2
DABFN(ID)=DABFN(ID)+ABSOFF*ELEC1(ID)
DABPP=ABSOFF*POPINV(II,ID)
DABP1(II,ID)=DABP1(II,ID)+DABPP
DEMP1(II,ID)=DEMP1(II,ID)+DABPP
end if
END DO
C
C H minus free-free opacity
C (all derivatives are neglected)
C
ELSE IF(IT.EQ.3) THEN
DO ID=1,ND
ABSOFF=SFFHMI(POPUL(NFIRST(IELH),ID),FR,TEMP(ID))*
* ELEC(ID)
ABSFF(ID)=ABSFF(ID)+ABSOFF
END DO
C
C special evaluation of the cross-section
C (all derivatives are neglected)
C
ELSE IF(IT.LT.0) THEN
DO ID=1,ND
ABSOFF=FFCROS(ION,IT,TEMP(ID),FR)*
* POPUL(NNEXT(ION),ID)*ELEC(ID)
ABSFF(ID)=ABSFF(ID)+ABSOFF
END DO
END IF
40 CONTINUE
C ******** 3. - additional opacity (OPADD)
C
IF(IOPADD.NE.0) THEN
ICALL=1
DO ID=1,ND
CALL OPADD(0,ICALL,IJ,ID)
ABSO1(ID)=ABSO1(ID)+ABAD
EMIS1(ID)=EMIS1(ID)+EMAD
SCAT1(ID)=SCAT1(ID)+SCAD
DABT1(ID)=DABT1(ID)+DAT
DEMT1(ID)=DEMT1(ID)+DET
DABN1(ID)=DABN1(ID)+DAN
DEMN1(ID)=DEMN1(ID)+DEN
END DO
END IF
C
C -----------------------
C total continuum opacity
C -----------------------
C
DO ID=1,ND
ABSO1(ID)=ABSO1(ID)+ABSFF(ID)
DABT1(ID)=DABT1(ID)+DABFT(ID)
DABN1(ID)=DABN1(ID)+DABFN(ID)
EMIS1(ID)=EMIS1(ID)+ABSFF(ID)
DEMT1(ID)=DEMT1(ID)+DABFT(ID)
DEMN1(ID)=DEMN1(ID)+DABFN(ID)
END DO
C
C ******** 4. - opacity and emissivity in lines
C
LASER=ITER.GT.ITLAS
IF(ISPODF.EQ.0) THEN
IF(IJLIN(IJ).GT.0) THEN
ITR=IJLIN(IJ)
iad=iadop(iatm(ilow(itr)))
if(iad.eq.0.or.(lfre.and.iad.gt.0)) then
C
C the "primary" line at the given frequency
C
ITR=IJLIN(IJ)
II=ILOW(ITR)
JJ=IUP(ITR)
DO 50 ID=1,ND
SG=PRFLIN(ID,IJ)
SGPI=SG*ABTRA(ITR,ID)
IF(SGPI.LE.0.AND.LASER) GO TO 50
SGPJ=SG*EMTRA(ITR,ID)
ABSO1(ID)=ABSO1(ID)+SGPI
EMIS1(ID)=EMIS1(ID)+SGPJ
if(iifix(iatm(ii)).gt.0) go to 50
DEMT1(ID)=DEMT1(ID)+SGPJ*DEMLT(ITR,ID)
DABP1(II,ID)=DABP1(II,ID)+SGPI*POPINV(II,ID)
DEMP1(JJ,ID)=DEMP1(JJ,ID)+SGPJ*POPINV(JJ,ID)
50 CONTINUE
end if
ENDIF
IF(NLINES(IJ).LE.0) GO TO 200
C
C the "overlapping" lines at the given frequency
C
DO 100 ILINT=1,NLINES(IJ)
ITR=ITRLIN(ILINT,IJ)
if(linexp(itr)) goto 100
II=ILOW(ITR)
JJ=IUP(ITR)
IJ0=IFR0(ITR)
iad=iadop(iatm(ii))
if(iad.gt.0.and..not.lfre) go to 100
DO IJT=IJ0,IFR1(ITR)
IF(FREQ(IJT).LE.FR) THEN
IJ0=IJT
GO TO 70
END IF
END DO
70 IJ1=IJ0-1
A1=(FR-FREQ(IJ0))/(FREQ(IJ1)-FREQ(IJ0))
A2=UN-A1
DO 80 ID=1,ND
SG=A1*PRFLIN(ID,IJ1)+A2*PRFLIN(ID,IJ0)
SGPI=SG*ABTRA(ITR,ID)
IF(SGPI.LE.0.AND.LASER) GO TO 80
SGPJ=SG*EMTRA(ITR,ID)
ABSO1(ID)=ABSO1(ID)+SGPI
EMIS1(ID)=EMIS1(ID)+SGPJ
if(iifix(iatm(ii)).gt.0) go to 80
DEMT1(ID)=DEMT1(ID)+SGPJ*DEMLT(ITR,ID)
DABP1(II,ID)=DABP1(II,ID)+SGPI*POPINV(II,ID)
DEMP1(JJ,ID)=DEMP1(JJ,ID)+SGPJ*POPINV(JJ,ID)
80 CONTINUE
100 CONTINUE
200 CONTINUE
C
C Opacity sampling option
C
ELSE
IF(NLINES(IJ).LE.0) GO TO 400
DO 300 ILINT=1,NLINES(IJ)
ITR=ITRLIN(ILINT,IJ)
II=ILOW(ITR)
JJ=IUP(ITR)
iad=iadop(iatm(ii))
if(iad.gt.0.and..not.lfre) go to 300
KJ=IJ-IFR0(ITR)+KFR0(ITR)
INDXPA=IABS(INDEXP(ITR))
IF(INDXPA.NE.3 .AND. INDXPA.NE.4) THEN
DO 310 ID=1,ND
SGPI=PRFLIN(ID,KJ)*ABTRA(ITR,ID)
IF(SGPI.LE.0.AND.LASER) GO TO 310
SGPJ=PRFLIN(ID,KJ)*EMTRA(ITR,ID)
ABSO1(ID)=ABSO1(ID)+SGPI
EMIS1(ID)=EMIS1(ID)+SGPJ
if(iifix(iatm(ii)).gt.0) go to 310
DEMT1(ID)=DEMT1(ID)+SGPJ*DEMLT(ITR,ID)
DABP1(II,ID)=DABP1(II,ID)+SGPI*POPINV(II,ID)
DEMP1(JJ,ID)=DEMP1(JJ,ID)+SGPJ*POPINV(JJ,ID)
310 CONTINUE
ELSE
DO 320 ID=1,ND
KJD=JIDI(ID)
SG=EXP(XJID(ID)*SIGFE(KJD,KJ)+(UN-XJID(ID))*
* SIGFE(KJD+1,KJ))
SGPI=SG*ABTRA(ITR,ID)
IF(SGPI.LE.0.AND.LASER) GO TO 320
SGPJ=SG*EMTRA(ITR,ID)
ABSO1(ID)=ABSO1(ID)+SGPI
EMIS1(ID)=EMIS1(ID)+SGPJ
if(iifix(iatm(ii)).gt.0) go to 320
DEMT1(ID)=DEMT1(ID)+SGPJ*DEMLT(ITR,ID)
DABP1(II,ID)=DABP1(II,ID)+SGPI*POPINV(II,ID)
DEMP1(JJ,ID)=DEMP1(JJ,ID)+SGPJ*POPINV(JJ,ID)
320 CONTINUE
END IF
300 CONTINUE
400 CONTINUE
END IF
C
c Lyman alpha and beta quasimolecular opacity
c
call quasim(ij)
C
C ------------------------------------------
C total opacity, emissivity, and derivatives
C ------------------------------------------
C
DO ID=1,ND
DEMT1(ID)=DEMT1(ID)+EMIS1(ID)*FR*HKT21(ID)
ABSO1(ID)=ABSO1(ID)-EMIS1(ID)*XKF(ID)+SCAT1(ID)
DABN1(ID)=DABN1(ID)-DEMN1(ID)*XKF(ID)
DABT1(ID)=DABT1(ID)-DEMT1(ID)*XKF(ID)
EMIS1(ID)=EMIS1(ID)*XKFB(ID)
DEMN1(ID)=DEMN1(ID)*XKFB(ID)
DEMT1(ID)=DEMT1(ID)*XKFB(ID)
DO II=1,NLEVEL
DABP1(II,ID)=DABP1(II,ID)-DEMP1(II,ID)*XKF(ID)
DEMP1(II,ID)=DEMP1(II,ID)*XKFB(ID)
END DO
absot(id)=abso1(id)
END DO
c
IF(IOPLYM.GT.0) CALL LYMLIN(IJ)
if(ifprd.gt.0) call prd(ij)
C
C ---------------------------------------------
C
C derivatives in the linearized explicit levels
C
IF(NLVEXP.LT.NLEVEL) THEN
DO ID=1,ND
DO I=1,NLVEXP
DABP0(I)=0.
DEMP0(I)=0.
END DO
DO I=1,NLEVEL
if(iifix(iatm(i)).eq.0) then
II=IIEXP(I)
IF(II.GT.0) THEN
DABP0(II)=DABP0(II)+DABP1(I,ID)
DEMP0(II)=DEMP0(II)+DEMP1(I,ID)
ELSE IF(II.LT.0) THEN
DABP0(-II)=DABP0(-II)+DABP1(I,ID)*PP(I,ID)
DEMP0(-II)=DEMP0(-II)+DEMP1(I,ID)*PP(I,ID)
ELSE
JJ=IIEXP(ILTREF(I,ID))
if(jj.gt.0) then
DABP0(JJ)=DABP0(JJ)+DABP1(I,ID)*PP(I,ID)
DEMP0(JJ)=DEMP0(JJ)+DEMP1(I,ID)*PP(I,ID)
endif
IF(IABS(IMODL(I)).LE.5) THEN
DABT1(ID)=DABT1(ID)+DABP1(I,ID)*PT(I,ID)
DEMT1(ID)=DEMT1(ID)+DEMP1(I,ID)*PT(I,ID)
DABN1(ID)=DABN1(ID)+DABP1(I,ID)*PN(I,ID)
DEMN1(ID)=DEMN1(ID)+DEMP1(I,ID)*PN(I,ID)
END IF
END IF
end if
END DO
DO II=1,NLVEXP
DABP1(II,ID)=DABP0(II)
DEMP1(II,ID)=DEMP0(II)
END DO
END DO
END IF
c
c contribution from the background opacity table
c
if(ioptab.gt.0) then
c
imodf=0
FR=FREQ(IJ)
if(fr.lt.frtabm) then
DO ID=1,ND
T=TEMP(ID)
T1=T*(UN+DELT)
RHO=DENS(ID)
RHO1=RHO*(UN+DELR)
PLAN=XKFB(ID)/XKF1(ID)
DPLAN=PLAN/XKF1(ID)*HKT1(ID)*FR/T
CALL OPCTAB(FR,IJ,ID,T,RHO,AB,SC,SCT,imodf)
CALL OPCTAB(FR,IJ,ID,T1,RHO,AB1,SC1,SCT1,imodf)
CALL OPCTAB(FR,IJ,ID,T,RHO1,AB2,SC2,SCT2,imodf)
ABSO1(ID)=ABSO1(id)+AB
EMIS1(ID)=EMIS1(ID)+AB*PLAN
scat1(id)=scat1(id)+sct
c
c derivatives w.r.t. temperature
c
DABTAB=(AB1-AB)/T/DELT
dabtab=0.
DABT1(ID)=DABT1(ID)+DABTAB
DEMT1(ID)=DEMT1(ID)+AB*DPLAN+DABTAB*PLAN
DSCT1(ID)=DSCT1(ID)+(SCT1-SCT)/T/DELT
dabt1(id)=dabt1(id)+dsct1(id)
c
c derivatives w.r.t. density
c
DABN1A(ID)=(AB2-AB)/RHO/DELR
DEMN1A(ID)=DABN1(ID)*PLAN
c DSCN1A(ID)=(SCT2-SCT)/RHO/DELR
c dabn1A(id)=dabn1a(id)+dscn1a(id)
DABN1A(ID)=0.
DEMN1A(ID)=0.
DSCN1A(ID)=0.
c
c modify derivatives in case density is not a state parameter
c
IF(INHE.LE.0) THEN
DABT1(ID)=DABT1(ID)+DABN1A(ID)*DRHODT(ID)
DEMT1(ID)=DEMT1(ID)+DEMN1A(ID)*DRHODT(ID)
DSCT1(ID)=DSCT1(ID)+DSCN1A(ID)*DRHODT(ID)
ELSE
DABN1(ID)=DABN1(ID)+DABN1A(ID)
DEMN1(ID)=DEMN1(ID)+DEMN1A(ID)
DSCN1(ID)=DSCN1(ID)+DSCN1A(ID)
END IF
c
if(ifryb.gt.5) then
abso1(id)=abso1(id)/dens(id)
emis1(id)=emis1(id)/dens(id)
scat1(id)=scat1(id)/dens(id)
dabt1(id)=dabt1(id)/dens(id)
demt1(id)=demt1(id)/dens(id)
dsct1(id)=dsct1(id)/dens(id)
end if
c
END DO
end if
end if
c
c if needed, evaluate the opacity per gram
c
if(izscal.eq.0) then
do id=1,nd
absot(id)=abso1(id)/dens(id)
end do
id=1
c if(mod(ij,1000).le.3)
c * write(*,*) '+++++++opacfd',ij,abso1(id),absot(id)
end if
C
C store quantities for explicit (linearized) frequencies
C
IF(IJEX(IJ).LE.0) RETURN
IJE=IJEX(IJ)
DO ID=1,ND
ABSOEX(IJE,ID)=ABSO1(ID)
EMISEX(IJE,ID)=EMIS1(ID)
SCATEX(IJE,ID)=SCAT1(ID)
DABTEX(IJE,ID)=DABT1(ID)
DEMTEX(IJE,ID)=DEMT1(ID)
DABNEX(IJE,ID)=DABN1(ID)
DEMNEX(IJE,ID)=DEMN1(ID)
DABMEX(IJE,ID)=DABM1(ID)
DEMMEX(IJE,ID)=DEMM1(ID)
DO II=1,NLVEXP
DRCHEX(II,IJE,ID)=DABP1(II,ID)
DRETEX(II,IJE,ID)=DEMP1(II,ID)
END DO
END DO
C
RETURN
END