/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/argos/ |
H A D | argos_prep_quick_charge.F | 1 subroutine argos_prep_quick_charge(lfnout,lfnpar, argument 10 integer lfnout,lfnpar 32 open(unit=lfnpar,file=filnam(1:len),status='old',form='formatted', 35 read(lfnpar,1000,end=4,err=9999) card 42 read(lfnpar,1000,end=4,err=9999) card 55 close(unit=lfnpar)
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H A D | argos_prepare_quick_charge.F | 1 subroutine argos_prepare_quick_charge(lfnout,lfnpar, argument 10 integer lfnout,lfnpar 32 open(unit=lfnpar,file=filnam(1:len),status='old',form='formatted', 35 read(lfnpar,1000,end=4,err=9999) card 42 read(lfnpar,1000,end=4,err=9999) card 55 close(unit=lfnpar)
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H A D | argos_prep_ffield.F | 1 logical function argos_prep_ffield(idir,lfnpar,filep,lfnout, 16 integer idir,lfnpar,lfnout,nparms,mparms 63 read(lfnpar,1000,err=9999,end=999) card 129 read(lfnpar,1000,end=999) card 243 read(lfnpar,1000,end=999) card 256 read(lfnpar,1004,err=9999) pt1,pt2 380 read(lfnpar,1000,end=999) card 424 read(lfnpar,1000,end=999) card 484 read(lfnpar,1000,end=999) card 542 read(lfnpar,1000,end=999) card [all …]
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H A D | argos_prepare_ffield.F | 1 logical function argos_prepare_ffield(idir,lfnpar,filep,lfnout, 16 integer idir,lfnpar,lfnout,nparms,mparms 63 read(lfnpar,1000,err=9999,end=999) card 129 read(lfnpar,1000,end=999) card 243 read(lfnpar,1000,end=999) card 256 read(lfnpar,1004,err=9999) pt1,pt2 380 read(lfnpar,1000,end=999) card 424 read(lfnpar,1000,end=999) card 484 read(lfnpar,1000,end=999) card 542 read(lfnpar,1000,end=999) card [all …]
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H A D | argos_prepare_atype.F | 1 logical function argos_prepare_atype(lfnout,lfnpar, 41 integer lfnpar,lfnout 272 open(unit=lfnpar,file=filnam(1:len),status='old', 275 read(lfnpar,1000,end=17,err=9999) card 282 read(lfnpar,1000,end=17,err=9999) card 290 read(lfnpar,1002) (itype(k,ntype),k=11,15) 291 read(lfnpar,1002) (itype(k,ntype),k=16,20) 295 close(unit=lfnpar)
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H A D | argos_prep_atype.F | 1 logical function argos_prep_atype(lfnout,lfnpar, 41 integer lfnpar,lfnout 272 open(unit=lfnpar,file=filnam(1:len),status='old', 275 read(lfnpar,1000,end=17,err=9999) card 282 read(lfnpar,1000,end=17,err=9999) card 290 read(lfnpar,1002) (itype(k,ntype),k=11,15) 291 read(lfnpar,1002) (itype(k,ntype),k=16,20) 295 close(unit=lfnpar)
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H A D | argos_prepare_mkfrg.F | 1 logical function argos_prepare_mkfrg(irtdb,source,iunit,lfnpar, 52 integer iunit,lfnpar,lfnout 226 if(.not.argos_prepare_atype(lfnout,lfnpar, 254 if(.not.argos_prepare_charge(irtdb,lfnout,lfnpar, 259 if(.not.argos_prepare_charge(irtdb,lfnout,lfnpar,
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H A D | argos_prep_mkfrg.F | 1 logical function argos_prep_mkfrg(irtdb,source,iunit,lfnpar, 50 integer iunit,lfnpar,lfnout 222 if(.not.argos_prep_atype(lfnout,lfnpar, 250 if(.not.argos_prep_charge(irtdb,lfnout,lfnpar, 255 if(.not.argos_prep_charge(irtdb,lfnout,lfnpar,
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H A D | argos_prepare.F | 64 integer lfnpdb,lfnout,lfnfrg,lfnseq,lfnsgm,lfntop,lfnrst,lfnpar 102 lfnpar=18 292 + lfnpdb,filpdb,lfnseq,filseq,lfnpar,lfnfrg,lfnsgm, 308 + lfnseq,filseq,lfntop,filtop,lfnsgm,lfnpar,lfnmod,filmod,lfnmat,
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/argos/ |
H A D | argos_prep_quick_charge.F | 1 subroutine argos_prep_quick_charge(lfnout,lfnpar, argument 10 integer lfnout,lfnpar 32 open(unit=lfnpar,file=filnam(1:len),status='old',form='formatted', 35 read(lfnpar,1000,end=4,err=9999) card 42 read(lfnpar,1000,end=4,err=9999) card 55 close(unit=lfnpar)
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H A D | argos_prepare_quick_charge.F | 1 subroutine argos_prepare_quick_charge(lfnout,lfnpar, argument 10 integer lfnout,lfnpar 32 open(unit=lfnpar,file=filnam(1:len),status='old',form='formatted', 35 read(lfnpar,1000,end=4,err=9999) card 42 read(lfnpar,1000,end=4,err=9999) card 55 close(unit=lfnpar)
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H A D | argos_prep_ffield.F | 1 logical function argos_prep_ffield(idir,lfnpar,filep,lfnout, 16 integer idir,lfnpar,lfnout,nparms,mparms local 63 read(lfnpar,1000,err=9999,end=999) card 129 read(lfnpar,1000,end=999) card 243 read(lfnpar,1000,end=999) card 256 read(lfnpar,1004,err=9999) pt1,pt2 380 read(lfnpar,1000,end=999) card 424 read(lfnpar,1000,end=999) card 484 read(lfnpar,1000,end=999) card 542 read(lfnpar,1000,end=999) card [all …]
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H A D | argos_prepare_ffield.F | 1 logical function argos_prepare_ffield(idir,lfnpar,filep,lfnout, 16 integer idir,lfnpar,lfnout,nparms,mparms 63 read(lfnpar,1000,err=9999,end=999) card 129 read(lfnpar,1000,end=999) card 243 read(lfnpar,1000,end=999) card 256 read(lfnpar,1004,err=9999) pt1,pt2 380 read(lfnpar,1000,end=999) card 424 read(lfnpar,1000,end=999) card 484 read(lfnpar,1000,end=999) card 542 read(lfnpar,1000,end=999) card [all …]
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H A D | argos_prepare_atype.F | 1 logical function argos_prepare_atype(lfnout,lfnpar, 41 integer lfnpar,lfnout local 272 open(unit=lfnpar,file=filnam(1:len),status='old', 275 read(lfnpar,1000,end=17,err=9999) card 282 read(lfnpar,1000,end=17,err=9999) card 290 read(lfnpar,1002) (itype(k,ntype),k=11,15) 291 read(lfnpar,1002) (itype(k,ntype),k=16,20) 295 close(unit=lfnpar)
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H A D | argos_prep_atype.F | 1 logical function argos_prep_atype(lfnout,lfnpar, 41 integer lfnpar,lfnout 272 open(unit=lfnpar,file=filnam(1:len),status='old', 275 read(lfnpar,1000,end=17,err=9999) card 282 read(lfnpar,1000,end=17,err=9999) card 290 read(lfnpar,1002) (itype(k,ntype),k=11,15) 291 read(lfnpar,1002) (itype(k,ntype),k=16,20) 295 close(unit=lfnpar)
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H A D | argos_prep_mkfrg.F | 1 logical function argos_prep_mkfrg(irtdb,source,iunit,lfnpar, 50 integer iunit,lfnpar,lfnout 222 if(.not.argos_prep_atype(lfnout,lfnpar, 250 if(.not.argos_prep_charge(irtdb,lfnout,lfnpar, 255 if(.not.argos_prep_charge(irtdb,lfnout,lfnpar,
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H A D | argos_prepare_mkfrg.F | 1 logical function argos_prepare_mkfrg(irtdb,source,iunit,lfnpar, 52 integer iunit,lfnpar,lfnout 226 if(.not.argos_prepare_atype(lfnout,lfnpar, 254 if(.not.argos_prepare_charge(irtdb,lfnout,lfnpar, 259 if(.not.argos_prepare_charge(irtdb,lfnout,lfnpar,
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/prepar/ |
H A D | pre_ffield.F | 1 logical function pre_ffield(idir,lfnpar,filep,lfnout, 16 integer idir,lfnpar,lfnout,nparms,mparms 63 read(lfnpar,1000,err=9999,end=999) card 129 read(lfnpar,1000,end=999) card 243 read(lfnpar,1000,end=999) card 256 read(lfnpar,1004,err=9999) pt1,pt2 380 read(lfnpar,1000,end=999) card 424 read(lfnpar,1000,end=999) card 484 read(lfnpar,1000,end=999) card 542 read(lfnpar,1000,end=999) card [all …]
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H A D | pre_charge.F | 1 logical function pre_charge(irtdb,lfnout,lfnpar, 35 integer irtdb,lfnout,lfnpar,jlo,ilo,ihi,jhi local 275 call pre_quick_charge(lfnout,lfnpar, 378 subroutine pre_quick_charge(lfnout,lfnpar, argument 387 integer lfnout,lfnpar local 409 open(unit=lfnpar,file=filnam(1:len),status='old',form='formatted', 412 read(lfnpar,1000,end=4,err=9999) card 419 read(lfnpar,1000,end=4,err=9999) card 432 close(unit=lfnpar)
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H A D | pre_atype.F | 1 logical function pre_atype(lfnout,lfnpar, 41 integer lfnpar,lfnout 272 open(unit=lfnpar,file=filnam(1:len),status='old', 275 read(lfnpar,1000,end=17,err=9999) card 282 read(lfnpar,1000,end=17,err=9999) card 290 read(lfnpar,1002) (itype(k,ntype),k=11,15) 291 read(lfnpar,1002) (itype(k,ntype),k=16,20) 295 close(unit=lfnpar)
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H A D | pre_mkfrg.F | 1 logical function pre_mkfrg(irtdb,source,iunit,lfnpar, 48 integer iunit,lfnpar,lfnout 219 if(.not.pre_atype(lfnout,lfnpar, 247 if(.not.pre_charge(irtdb,lfnout,lfnpar, 252 if(.not.pre_charge(irtdb,lfnout,lfnpar,
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/prepar/ |
H A D | pre_ffield.F | 1 logical function pre_ffield(idir,lfnpar,filep,lfnout, 16 integer idir,lfnpar,lfnout,nparms,mparms 63 read(lfnpar,1000,err=9999,end=999) card 129 read(lfnpar,1000,end=999) card 243 read(lfnpar,1000,end=999) card 256 read(lfnpar,1004,err=9999) pt1,pt2 380 read(lfnpar,1000,end=999) card 424 read(lfnpar,1000,end=999) card 484 read(lfnpar,1000,end=999) card 542 read(lfnpar,1000,end=999) card [all …]
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H A D | pre_charge.F | 1 logical function pre_charge(irtdb,lfnout,lfnpar, 35 integer irtdb,lfnout,lfnpar,jlo,ilo,ihi,jhi 275 call pre_quick_charge(lfnout,lfnpar, 378 subroutine pre_quick_charge(lfnout,lfnpar, argument 387 integer lfnout,lfnpar 409 open(unit=lfnpar,file=filnam(1:len),status='old',form='formatted', 412 read(lfnpar,1000,end=4,err=9999) card 419 read(lfnpar,1000,end=4,err=9999) card 432 close(unit=lfnpar)
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H A D | pre_atype.F | 1 logical function pre_atype(lfnout,lfnpar, 41 integer lfnpar,lfnout 272 open(unit=lfnpar,file=filnam(1:len),status='old', 275 read(lfnpar,1000,end=17,err=9999) card 282 read(lfnpar,1000,end=17,err=9999) card 290 read(lfnpar,1002) (itype(k,ntype),k=11,15) 291 read(lfnpar,1002) (itype(k,ntype),k=16,20) 295 close(unit=lfnpar)
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H A D | pre_mkfrg.F | 1 logical function pre_mkfrg(irtdb,source,iunit,lfnpar, 48 integer iunit,lfnpar,lfnout 219 if(.not.pre_atype(lfnout,lfnpar, 247 if(.not.pre_charge(irtdb,lfnout,lfnpar, 252 if(.not.pre_charge(irtdb,lfnout,lfnpar,
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