608 lines
18 KiB
Fortran
608 lines
18 KiB
Fortran
SUBROUTINE INILIN
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C =================
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C
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C read in the input line list,
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C selection of lines that may contribute,
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C set up auxiliary fields containing line parameters,
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C
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C Input of line data - unit 19:
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C
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C For each line, one (or two) records, containing:
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C
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C ALAM - wavelength (in nm)
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C ANUM - code of the element and ion (as in Kurucz-Peytremann)
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C (eg. 2.00 = HeI; 26.00 = FeI; 26.01 = FeII; 6.03 = C IV)
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C GF - log gf
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C EXCL - excitation potential of the lower level (in cm*-1)
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C QL - the J quantum number of the lower level
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C EXCU - excitation potential of the upper level (in cm*-1)
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C QU - the J quantum number of the upper level
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C AGAM = 0. - radiation damping taken classical
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C > 0. - the value of Gamma(rad)
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C
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C There are now two possibilities, called NEW and OLD, of the next
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C parameters:
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C a) NEW, next parameters are:
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C GS = 0. - Stark broadening taken classical
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C > 0. - value of log gamma(Stark)
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C GW = 0. - Van der Waals broadening taken classical
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C > 0. - value of log gamma(VdW)
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C INEXT = 0 - no other record necessary for a given line
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C > 0 - a second record is present, see below
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C
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C The following parameters may or may not be present,
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C in the same line, next to INEXT:
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C ISQL >= 0 - value for the spin quantum number (2S+1) of lower level
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C < 0 - value for the spin number of the lower level unknown
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C ILQL >= 0 - value for the L quantum number of lower level
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C < 0 - value for L of the lower level unknown
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C IPQL >= 0 - value for the parity of lower level
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C < 0 - value for the parity of the lower level unknown
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C ISQU >= 0 - value for the spin quantum number (2S+1) of upper level
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C < 0 - value for the spin number of the upper level unknown
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C ILQU >= 0 - value for the L quantum number of upper level
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C < 0 - value for L of the upper level unknown
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C IPQU >= 0 - value for the parity of upper level
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C < 0 - value for the parity of the upper level unknown
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C (by default, the program finds out whether these quantum numbers
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C are included, but the user can force the program to ignore them
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C if present by setting INLIST=10 or larger
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C
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C If INEXT was set to >0 then the following record includes:
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C WGR1,WGR2,WGR3,WGR4 - Stark broadening values from Griem (in Angst)
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C for T=5000,10000,20000,40000 K, respectively;
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C and n(el)=1e16 for neutrals, =1e17 for ions.
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C ILWN = 0 - line taken in LTE (default)
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C > 0 - line taken in NLTE, ILWN is then index of the
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C lower level
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C =-1 - line taken in approx. NLTE, with Doppler K2 function
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C =-2 - line taken in approx. NLTE, with Lorentz K2 function
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C IUN = 0 - population of the upper level in LTE (default)
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C > 0 - index of the lower level
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C IPRF = 0 - Stark broadening determined by GS
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C < 0 - Stark broadening determined by WGR1 - WGR4
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C > 0 - index for a special evaluation of the Stark
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C broadening (in the present version inly for He I -
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C see procedure GAMHE)
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C b) OLD, next parameters are
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C IPRF,ILWN,IUN - the same meaning as above
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C next record with WGR1-WGR4 - again the same meaning as above
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C (this record is automatically read if IPRF<0
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C
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C The only differences between NEW and OLD is the occurence of
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C GS and GW in NEW, and slightly different format of reading.
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C
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C
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INCLUDE 'PARAMS.FOR'
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INCLUDE 'MODELP.FOR'
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INCLUDE 'SYNTHP.FOR'
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INCLUDE 'LINDAT.FOR'
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COMMON/LIMPAR/ALAM0,ALAM1,FRMIN,FRLAST,FRLI0,FRLIM
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COMMON/BLAPAR/RELOP,SPACE0,CUTOF0,TSTD,DSTD,ALAMC
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COMMON/IPOTLS/IPOTL(mlin0)
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C
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PARAMETER (C1 = 2.3025851,
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* C2 = 4.2014672,
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* C3 = 1.4387886,
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* CNM = 2.997925D17,
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* ANUMIN = 1.9,
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* ANUMAX = 99.31,
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* AHE2 = 2.01,
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* EXT0 = 3.17,
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* UN = 1.0,
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* TEN = 10.,
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* HUND = 1.D2,
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* TENM4 = 1.D-4,
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* TENM8 = 1.D-8,
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* OP4 = 0.4,
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* AGR0=2.4734E-22,
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* XEH=13.595, XET=8067.6, XNF=25.,
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* R02=2.5, R12=45., VW0=4.5E-9)
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PARAMETER (ENHE1=198310.76, ENHE2=438908.85)
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CHARACTER*1000 CADENA
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DATA INLSET /0/
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C
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if(ibin(0).eq.0) then
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open(unit=19,file=amlist(0),status='old')
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else
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open(unit=19,file=amlist(0),form='unformatted',status='old')
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end if
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if(imode.lt.-2) then
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call inilin_grid
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return
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end if
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c
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if(ndstep.eq.0) then
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write(6,621) idstd,temp(idstd),dens(idstd)
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else
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write(6,622)
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do id=1,nd,ndstep
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write(6,623) id,temp(id),dens(id)
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end do
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end if
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621 format(/' lines are rejected based on opacities at the',
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* ' standard depth:'/
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* ' ID =',i4,' T = ',f10.1,', DENS = ',1pe10.3/)
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622 format(/' lines are rejected based on opacities at depths:'/)
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623 format(' ID =',i4,' T = ',f10.1,', DENS = ',1pe10.3/)
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c
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IL=0
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INNLT0=0
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IGRIE0=0
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IF(NXTSET.EQ.1) THEN
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ALAM0=ALM00
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ALAST=ALST00
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FRLAST=CNM/ALAST
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NXTSET=0
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REWIND 19
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END IF
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ALAM00=ALAM0
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ALAST=CNM/FRLAST
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ALAST0=ALAST
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DOPSTD=1.E7/ALAM0*DSTD
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DOPLAM=ALAM0*ALAM0/CNM*DOPSTD
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AVAB=ABSTD(IDSTD)*RELOP
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ASTD=1.0
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c IF(GRAV.GT.6.) ASTD=0.1
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CUTOFF=CUTOF0
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ALAST=CNM/FRLAST
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IF(INLTE.GE.1.AND.INLSET.EQ.0) THEN
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CALL NLTSET(0,IL,IAT,ION,ALAM0,EXCL,EXCU,QL,QU,
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* ISQL,ILQL,IPQL,ISQU,ILQU,IPQU,IEVEN,INNLT0,ILMATCH)
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INLSET=1
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ILMATCH=0
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ILSEARCH=0
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ILFOUND=0
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ILFAIL=0
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ILMULT=0
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END IF
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c
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C
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C Check whether any ion needs to compare quantum number limits
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C
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MAXILIMITS=0
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DO I=1,NION
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IF (ILIMITS(I).EQ.1) MAXILIMITS=1
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END DO
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IF (MAXILIMITS.EQ.0.and.inlist.gt.0) INLIST=20
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C
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C If INLIST=0 or 10, the program checks for the number of words
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C present in the first line of the file to determine if quantum
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C numbers are included. If INLINST=11, they will be ignored anyway
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IADQN=0
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IF(ibin(0).eq.0) then
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CADENA=' '
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READ(19,'(1000a)')CADENA
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BACKSPACE(19)
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CALL COUNT_WORDS(CADENA,NOW)
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IF(NOW.LT.12) THEN
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WRITE(11,*) 'INILIN: NO quantum numbers given in linelist'
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ELSE
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IADQN=1
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END IF
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if(inlist.ge.10)
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* write(11,*) 'INILIN: if present, quant. num. limits are ignored'
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ELSE
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read(19,err=4) ALAM,ANUM,GF,EXCL,QL,EXCU,QU,AGAM,
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* GS,GW,INEXT,ISQL,ILQL,IPQL,ISQU,ILQU,IPQU
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c BACKSPACE(19)
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IADQN=1
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go to 5
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4 continue
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backspace(19)
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read(19) ALAM,ANUM,GF,EXCL,QL,EXCU,QU,AGAM,
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* GS,GW,INEXT
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backspace(19)
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5 continue
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if(iadqn.eq.0)
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* write(11,*) 'INILIN: no quantum numbers in binary linelist'
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IF(INLIST.GE.10) THEN
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write(11,*)
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* 'INILIN: if present, quant. num. limits are ignored'
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END IF
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END IF
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rstd=1.e4
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if(relop.gt.0.) rstd=1./relop
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afac=10.
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if(iat.gt.15.and.iat.ne.26) afac=1.
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afac=afac*rstd*astd
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C
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C first part of reading line list - read only lambda, and
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C skip all lines with wavelength below ALAM0-CUTOFF
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C
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ALAM=0.
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IJC=2
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7 if(ibin(0).eq.0) then
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READ(19,510) ALAM
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else
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read(19) alam
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end if
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510 FORMAT(F10.4)
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IF(ALAM.LT.ALAM0-CUTOFF) GO TO 7
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BACKSPACE(19)
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GO TO 10
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c
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c read the line list
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c
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8 continue
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10 ILWN=0
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IUN=0
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IPRF=0
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GS=0.
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GW=0.
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IF(IBIN(0).EQ.0) THEN
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IF(IADQN.EQ.0) THEN
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READ(19,*,END=100,err=8) ALAM,ANUM,GF,EXCL,QL,EXCU,QU,AGAM,
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* GS,GW,INEXT
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IF(INEXT.NE.0) READ(19,*) WGR1,WGR2,WGR3,WGR4,ILWN,IUN,IPRF
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ELSE
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READ(19,*,END=100,err=8) ALAM,ANUM,GF,EXCL,QL,EXCU,QU,AGAM,
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* GS,GW,INEXT,ISQL,ILQL,IPQL,ISQU,ILQU,IPQU
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END IF
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ELSE
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IF(IADQN.EQ.0) THEN
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READ(19,END=100) ALAM,ANUM,GF,EXCL,QL,EXCU,QU,AGAM,GS,GW
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ELSE
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READ(19,END=100) ALAM,ANUM,GF,EXCL,QL,EXCU,QU,AGAM,GS,GW,
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* INEXT,ISQL,ILQL,IPQL,ISQU,ILQU,IPQU
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END IF
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END IF
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IF(INLIST.GE.10) THEN
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IF(ISPICK.EQ.0) THEN
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ISQL=-1
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ISQU=-1
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END IF
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IF(ILPICK.EQ.0) THEN
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ILQL=-1
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ILQU=-1
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END IF
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IF(IPPICK.EQ.0) THEN
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IPQL=-1
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IPQU=-1
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END IF
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IF(INEXT.NE.0) READ(19,*) WGR1,WGR2,WGR3,WGR4,ILWN,IUN,IPRF
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END IF
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C
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c change wavelength to vacuum for lambda > 2000
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c
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if(alam.gt.200..and.vaclim.gt.2000.) then
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wl0=alam*10.
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ALM=1.E8/(WL0*WL0)
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XN1=64.328+29498.1/(146.-ALM)+255.4/(41.-ALM)
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WL0=WL0*(XN1*1.D-6+UN)
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alam=wl0*0.1
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END IF
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C
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C first selection : for a given interval a atomic number
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C
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IF(ALAM.GT.ALAST+CUTOFF) GO TO 100
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IF(ANUM.LT.ANUMIN.OR.ANUM.GT.ANUMAX) GO TO 10
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IF(ABS(ANUM-AHE2).LT.TENM4.AND.IFHE2.GT.0) GO TO 10
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C
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C second selection : for line strenghts
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C
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FR0=CNM/ALAM
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IAT=INT(ANUM)
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FRA=(ANUM-FLOAT(IAT)+TENM4)*HUND
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ION=INT(FRA)+1
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IF(ION.GT.IONIZ(IAT)) GO TO 10
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IEVEN=1
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EXCL=ABS(EXCL)
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EXCU=ABS(EXCU)
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IF(EXCL.GT.EXCU) THEN
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FRA=EXCL
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EXCL=EXCU
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EXCU=FRA
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FRA=QL
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QL=QU
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QU=FRA
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IEVEN=0
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IF(INLIST.GE.10) THEN
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IFRA=ISQL
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ISQL=ISQU
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ISQU=IFRA
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IFRA=ILQL
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ILQL=ILQU
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ILQU=IFRA
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IFRA=IPQL
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IPQL=IPQU
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IPQU=IFRA
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END IF
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END IF
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GFP=C1*GF-C2
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EPP=C3*EXCL
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c
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if(ndstep.eq.0.and.ifwin.eq.0) then
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c
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c old procedure for rejecting lines
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c
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GX=GFP-EPP/TSTD
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AB0=0.
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if(gx.gt.-30)
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* AB0=EXP(GFP-EPP/TSTD)*RRR(IDSTD,ION,IAT)/DOPSTD/AVAB
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IF(AB0.LT.UN) GO TO 10
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C
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else
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c
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c new procedure for rejecting lines
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c
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DOPSTD=1.E7/ALAM*DSTD
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DOPLAM=ALAM*ALAM/CNM*DOPSTD
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do ijcn=ijc,nfreqc
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if(fr0.ge.freqc(ijcn)) go to 12
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end do
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12 continue
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ijc=ijcn
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if(ijc.gt.nfreqc) ijc=nfreqc
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tkm=1.65e8/amas(iat)
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DP0=3.33564E-11*FR0
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do id=1,nd,ndstep
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td=temp(id)
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gx=gfp-epp/td
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ab0=0.
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if(gx.gt.-30) then
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dops=dp0*sqrt(tkm/td+vturb(id))
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AB0=EXP(gx)*RRR(ID,ION,IAT)/(DOPS*abstdw(ijc,id)*relop)
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end if
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if(ab0.ge.un) go to 15
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end do
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GO TO 10
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end if
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C
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C truncate line list if there are more lines than maximum allowable
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C (given by MLIN0 - see include file LINDAT.FOR)
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C
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15 continue
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IL=IL+1
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IF(IL.GT.MLIN0) THEN
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WRITE(6,601) ALAM
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IL=MLIN0
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ALAST=CNM/FREQ0(IL)-CUTOFF
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FRLAST=CNM/ALAST
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NXTSET=1
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GO TO 100
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END IF
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C
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C =============================================
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C line is selected, set up necessary parameters
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C =============================================
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C
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C store parameters for selected lines
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C
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FREQ0(IL)=FR0
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EXCL0(IL)=real(EPP)
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EXCU0(IL)=real(EXCU*C3)
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GF0(IL)=real(GFP)
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INDAT(IL)=100*IAT+ION
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C
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C indices for corresponding excitation temperatures of the lower
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C and upper levels
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C (for winds)
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C
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if(ifwin.gt.0) then
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IJCONT(IL)=IJC
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if(excl.ge.enhe2) then
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ipotl(il)=3
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else if(excl.ge.enhe1) then
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ipotl(il)=2
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else
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ipotl(il)=1
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end if
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end if
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C
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C ****** line broadening parameters *****
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C
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C 1) natural broadening
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C
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IF(AGAM.GT.0.) THEN
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GAMR0(IL)=real(EXP(C1*AGAM))
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ELSE
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GAMR0(IL)=real(AGR0*FR0*FR0)
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END IF
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C
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C if Stark or Van der Waals broadenig assumed classical,
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C evaluate the effective quantum number
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C
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IF(GS.EQ.0..OR.GW.EQ.0) THEN
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Z=FLOAT(ION)
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XNEFF2=Z**2*(XEH/(ENEV(IAT,ION)-EXCU/XET))
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IF(XNEFF2.LE.0..OR.XNEFF2.GT.XNF) XNEFF2=XNF
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END IF
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C
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C 2) Stark broadening
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C
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IF(GS.NE.0.) THEN
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GS0(IL)=real(EXP(C1*GS))
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ELSE
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GS0(IL)=real(TENM8*XNEFF2*XNEFF2*SQRT(XNEFF2))
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END IF
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C
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C 3) Van der Waals broadening
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C
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IF(GW.NE.0.) THEN
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GW0(IL)=real(EXP(C1*GW))
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ELSE
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IF(IAT.LT.21) THEN
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R2=R02*(XNEFF2/Z)**2
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ELSE IF(IAT.LT.45) then
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R2=(R12-FLOAT(IAT))/Z
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ELSE
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R2=0.5
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END IF
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GW0(IL)=real(VW0*R2**OP4)
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END IF
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c
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C evaluation of EXTIN0 - the distance (in delta frequency) where
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C the line is supposed to contribute to the total opacity
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C
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call profil(il,iat,idstd,agam)
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IF(IAT.LE.2) THEN
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EXT=SQRT(10.*AB0)
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ELSE IF(IAT.LE.14) THEN
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EX0=AB0*ASTD*10.
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EXT=EXT0
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IF(EX0.GT.TEN) EXT=SQRT(EX0)
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ELSE
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EX0=AB0*ASTD
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EXT=EXT0
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IF(EX0.GT.TEN) EXT=SQRT(EX0)
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END IF
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EXTIN0=EXT*DOPSTD
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EXTIN(IL)=real(EXTIN0)
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C
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C 4) parameters for a special profile evaluation:
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C
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C a) special He I and He II line broadening parameters
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C
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ISPRFF=0
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IF(IAT.LE.2) ISPRFF=ISPEC(IAT,ION,ALAM)
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IF(IAT.EQ.2) CALL HESET(IL,ALAM,EXCL,EXCU,ION,IPRF,ILWN,IUN)
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ISPRF(IL)=ISPRFF
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IPRF0(IL)=IPRF
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C
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C b) parameters for Griem values of Stark broadening
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C
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IF(IPRF.LT.0) THEN
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IGRIE0=IGRIE0+1
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IGRIEM(IL)=IGRIE0
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IF(IGRIE0.GT.MGRIEM) THEN
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WRITE(6,603) ALAM
|
|
GO TO 20
|
|
END IF
|
|
WGR0(1,IGRIE0)=real(WGR1)
|
|
WGR0(2,IGRIE0)=real(WGR2)
|
|
WGR0(3,IGRIE0)=real(WGR3)
|
|
WGR0(4,IGRIE0)=real(WGR4)
|
|
END IF
|
|
20 CONTINUE
|
|
C
|
|
C implied NLTE option
|
|
C
|
|
if(inlte.eq.-2.or.inlte.eq.12) then
|
|
if(iat.le.20.and.excl.le.1000.) qu=-abs(qu)
|
|
else if(inlte.eq.-3) then
|
|
if(excl.le.1000.) qu=-abs(qu)
|
|
else if(inlte.eq.-4) then
|
|
qu=-abs(qu)
|
|
end if
|
|
C
|
|
C NLTE lines initialization
|
|
C
|
|
INDNLT(IL)=0
|
|
IF(QU.LT.0..OR.QL.LT.0.) THEN
|
|
ILWN=-1
|
|
QU=ABS(QU)
|
|
QL=ABS(QL)
|
|
END IF
|
|
IF(ILWN.LT.0.AND.INLTE.NE.0) THEN
|
|
INNLT0=INNLT0+1
|
|
INDNLT(IL)=INNLT0
|
|
IF(INNLT0.GT.MNLT) THEN
|
|
WRITE(6,604) ALAM
|
|
GO TO 100
|
|
END IF
|
|
GI=2.*QL+UN
|
|
GJ=2.*QU+UN
|
|
CALL NLTE(IL,ILWN,IUN,GI,GJ)
|
|
ILOWN(IL)=ILWN
|
|
IUPN(IL)=IUN
|
|
END IF
|
|
IF(ILWN.GT.0.AND.INLTE.NE.0) THEN
|
|
INNLT0=INNLT0+1
|
|
INDNLT(IL)=INNLT0
|
|
IF(INNLT0.GT.MNLT) THEN
|
|
WRITE(6,604) ALAM
|
|
GO TO 100
|
|
END IF
|
|
GI=2.*QL+UN
|
|
GJ=2.*QU+UN
|
|
CALL NLTE(IL,ILWN,IUN,GI,GJ)
|
|
ILOWN(IL)=ILWN
|
|
IUPN(IL)=IUN
|
|
END IF
|
|
IF(ILWN.EQ.0.AND.INLTE.GE.1) THEN
|
|
ILMATCH=-1
|
|
CALL NLTSET(1,IL,IAT,ION,ALAM,EXCL,EXCU,QL,QU,
|
|
* ISQL,ILQL,IPQL,ISQU,ILQU,IPQU,IEVEN,INNLT0,ILMATCH)
|
|
C
|
|
C Success accounting for nlte lines matched with quantum numbers and
|
|
C energy limits
|
|
C
|
|
C nlte lines searched matching energies and quantum numbers
|
|
IF(ILMATCH.GE.0) THEN
|
|
ILSEARCH=ILSEARCH+1
|
|
C nlte lines not found matching
|
|
IF (ILMATCH.EQ.0) THEN
|
|
ILFAIL=ILFAIL+1
|
|
C nlte lines with multiple matches
|
|
ELSE IF (ILMATCH.EQ.2) THEN
|
|
ILMULT=ILMULT+1
|
|
C nlte lines uniquely matched
|
|
ELSE IF (ILMATCH.EQ.1) THEN
|
|
ILFOUND=ILFOUND+1
|
|
ENDIF
|
|
ENDIF
|
|
|
|
IF(INDNLT(IL).GT.0) THEN
|
|
IF(INDNLT(IL).GT.MNLT) THEN
|
|
WRITE(6,604) ALAM
|
|
GO TO 100
|
|
END IF
|
|
GI=2.*QL+UN
|
|
GJ=2.*QU+UN
|
|
ILWN=ILOWN(IL)
|
|
IUN=IUPN(IL)
|
|
IF(ILWN.EQ.IUN.AND.GI.EQ.GJ) THEN
|
|
INDNLT(IL)=0
|
|
ILOWN(IL)=0
|
|
IUPN(IL)=0
|
|
ELSE
|
|
CALL NLTE(IL,ILWN,IUN,GI,GJ)
|
|
END IF
|
|
END IF
|
|
END IF
|
|
GO TO 10
|
|
C
|
|
100 NLIN0=IL
|
|
NNLT=INNLT0
|
|
NGRIEM=IGRIE0
|
|
ALM1=CNM/FREQ0(1)
|
|
IF(ALAM0.LT.ALM1.AND.IMODE.NE.1) THEN
|
|
ALAM0=ALM1-4.*DOPLAM
|
|
IF(ALAM0.LT.ALAM00) ALAM0=ALAM00
|
|
END IF
|
|
ALM2=CNM/FREQ0(NLIN0)
|
|
IF(NLIN0.GT.1) ALM2=CNM/FREQ0(NLIN0-1)
|
|
IF(ALAST.GT.ALM2.AND.IMODE.NE.1) THEN
|
|
ALAST=ALM2-4.*DOPLAM
|
|
IF(ALAST.GT.ALAST0) ALAST=ALAST0
|
|
FRLAST=CNM/ALAST
|
|
END IF
|
|
IBLANK=0
|
|
C
|
|
WRITE(11,*)'INILIN: NLTE matches using Energies and SLP limits --'
|
|
WRITE(11,*)ILSEARCH,' lines searched'
|
|
WRITE(11,*)ILFAIL,' lines unmatched -- set to LTE'
|
|
WRITE(11,*)ILMULT,' lines with multiple matches'
|
|
WRITE(11,*)ILFOUND,' lines uniquely matched'
|
|
WRITE(11,*)'----------------------------------------------------'
|
|
C
|
|
WRITE(*,*)'----------------------------------------------------'
|
|
WRITE(6,611) NLIN0,NNLT
|
|
611 FORMAT(/' LINES - TOTAL :',I10
|
|
* /' LINES - NLTE :',I10/)
|
|
601 FORMAT(' **** MORE LINES THAN MLIN0, LINE LIST TRUNCATED '/
|
|
*' AT LAMBDA',F15.4,' NM'/)
|
|
603 FORMAT(' **** MORE LINES WITH GRIEM PROFILES THAN MGRIEM'/
|
|
*' FOR LINES WITH LAMBDA GREATER THAN',F15.4,' NM'/)
|
|
604 FORMAT(' **** MORE LINES IN NLTE OPTION THAN MNLT'/
|
|
*' FOR LINES WITH LAMBDA GREATER THAN',F15.4,' NM'/)
|
|
RETURN
|
|
END
|