/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/argos/ |
H A D | argos_prep_pdbsiz.F | 2 + model,natm,nseq,nssb,nlnk,namslv,numslv,altloc,chain) 27 integer iunit,lfnout,model,natm,nseq,nssb,nchain,nlnk 39 nssb=0 128 nssb=nssb+1 225 write(lfnout,2002) filnam(1:length),natm,nseq,nssb,numslv
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H A D | argos_prepare_pdbsiz.F | 2 + model,natm,nseq,nssb,nlnk,namslv,numslv,altloc,chain) 27 integer iunit,lfnout,model,natm,nseq,nssb,nchain,nlnk 39 nssb=0 128 nssb=nssb+1 225 write(lfnout,2002) filnam(1:length),natm,nseq,nssb,numslv
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H A D | argos_prepare_pdbseq.F | 3 + lssb,mssb,nssb,llnk,clnk,mlnk,nlnk,altloc,chain) 27 integer iunit,lfnout,model,mseq,nseq,matm,natm,mssb,nssb,mlnk,nlnk 48 nssb=0 126 nssb=nssb+1 127 if(nssb.gt.mssb) call md_abort('increase mssb',9999) 128 read(card,2007) lssb(1,nssb),lssb(2,nssb)
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H A D | argos_prep_pdbseq.F | 3 + lssb,mssb,nssb,llnk,clnk,mlnk,nlnk,altloc,chain) 27 integer iunit,lfnout,model,mseq,nseq,matm,natm,mssb,nssb,mlnk,nlnk 48 nssb=0 126 nssb=nssb+1 127 if(nssb.gt.mssb) call md_abort('increase mssb',9999) 128 read(card,2007) lssb(1,nssb),lssb(2,nssb)
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H A D | argos_prepare_mkseq.F | 39 integer natm,nseq,nssb,nsgm,nlnk,maxscf,icyren,model,nxlnk 71 + natm,nseq,nssb,nlnk,slvnam,numslv,altloc,chain)) 81 nssb=0 90 mssb=nssb 168 + int_mb(i_lssb),mssb,nssb, 386 + int_mb(i_lssb),mssb,nssb,
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H A D | argos_prep_mkseq.F | 39 integer natm,nseq,nssb,nsgm,nlnk,maxscf,icyren,model,nxlnk 71 + natm,nseq,nssb,nlnk,slvnam,numslv,altloc,chain)) 81 nssb=0 90 mssb=nssb 168 + int_mb(i_lssb),mssb,nssb, 386 + int_mb(i_lssb),mssb,nssb,
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H A D | argos_prepare_wrtseq.F | 2 + cseq,lseq,mseq,nseq,lssb,mssb,nssb,llnk,clnk,mlnk,nlnk,nlnkf, 13 integer lfnseq,mseq,nseq,mssb,nssb,mlnk,nlnk,nlnkf,lfnout
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H A D | argos_prep_wrtseq.F | 2 + cseq,lseq,mseq,nseq,lssb,mssb,nssb,llnk,clnk,mlnk,nlnk,nlnkf, 13 integer lfnseq,mseq,nseq,mssb,nssb,mlnk,nlnk,nlnkf,lfnout
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/prepar/ |
H A D | pre_pdbsiz.F | 2 + model,natm,nseq,nssb,nlnk,namslv,numslv,altloc,chain) 27 integer iunit,lfnout,model,natm,nseq,nssb,nchain,nlnk 39 nssb=0 128 nssb=nssb+1 225 write(lfnout,2002) filnam(1:length),natm,nseq,nssb,numslv
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H A D | pre_pdbseq.F | 3 + lssb,mssb,nssb,llnk,clnk,mlnk,nlnk,altloc,chain) 27 integer iunit,lfnout,model,mseq,nseq,matm,natm,mssb,nssb,mlnk,nlnk 48 nssb=0 126 nssb=nssb+1 127 if(nssb.gt.mssb) call md_abort('increase mssb',9999) 128 read(card,2007) lssb(1,nssb),lssb(2,nssb)
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H A D | pre_mkseq.F | 33 integer natm,nseq,nssb,nsgm,nlnk,maxscf,icyren,model,nxlnk 65 + natm,nseq,nssb,nlnk,slvnam,numslv,altloc,chain)) 75 nssb=0 84 mssb=nssb 162 + int_mb(i_lssb),mssb,nssb, 380 + int_mb(i_lssb),mssb,nssb,
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H A D | pre_wrtseq.F | 2 + cseq,lseq,mseq,nseq,lssb,mssb,nssb,llnk,clnk,mlnk,nlnk,nlnkf, 13 integer lfnseq,mseq,nseq,mssb,nssb,mlnk,nlnk,nlnkf,lfnout
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H A D | pre_merge.F | 10 integer iunit,lfnout,natm,nseq,nssb,nchain,lfnpdb 26 nssb=0
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/argos/ |
H A D | argos_prep_pdbsiz.F | 2 + model,natm,nseq,nssb,nlnk,namslv,numslv,altloc,chain) 27 integer iunit,lfnout,model,natm,nseq,nssb,nchain,nlnk 39 nssb=0 128 nssb=nssb+1 225 write(lfnout,2002) filnam(1:length),natm,nseq,nssb,numslv
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H A D | argos_prepare_pdbsiz.F | 2 + model,natm,nseq,nssb,nlnk,namslv,numslv,altloc,chain) 27 integer iunit,lfnout,model,natm,nseq,nssb,nchain,nlnk 39 nssb=0 128 nssb=nssb+1 225 write(lfnout,2002) filnam(1:length),natm,nseq,nssb,numslv
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H A D | argos_prep_pdbseq.F | 3 + lssb,mssb,nssb,llnk,clnk,mlnk,nlnk,altloc,chain) 27 integer iunit,lfnout,model,mseq,nseq,matm,natm,mssb,nssb,mlnk,nlnk 48 nssb=0 126 nssb=nssb+1 127 if(nssb.gt.mssb) call md_abort('increase mssb',9999) 128 read(card,2007) lssb(1,nssb),lssb(2,nssb)
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H A D | argos_prepare_pdbseq.F | 3 + lssb,mssb,nssb,llnk,clnk,mlnk,nlnk,altloc,chain) 27 integer iunit,lfnout,model,mseq,nseq,matm,natm,mssb,nssb,mlnk,nlnk local 48 nssb=0 126 nssb=nssb+1 127 if(nssb.gt.mssb) call md_abort('increase mssb',9999) 128 read(card,2007) lssb(1,nssb),lssb(2,nssb)
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H A D | argos_prepare_mkseq.F | 39 integer natm,nseq,nssb,nsgm,nlnk,maxscf,icyren,model,nxlnk 71 + natm,nseq,nssb,nlnk,slvnam,numslv,altloc,chain)) 81 nssb=0 90 mssb=nssb 168 + int_mb(i_lssb),mssb,nssb, 386 + int_mb(i_lssb),mssb,nssb,
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H A D | argos_prep_mkseq.F | 39 integer natm,nseq,nssb,nsgm,nlnk,maxscf,icyren,model,nxlnk 71 + natm,nseq,nssb,nlnk,slvnam,numslv,altloc,chain)) 81 nssb=0 90 mssb=nssb 168 + int_mb(i_lssb),mssb,nssb, 386 + int_mb(i_lssb),mssb,nssb,
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H A D | argos_prepare_wrtseq.F | 2 + cseq,lseq,mseq,nseq,lssb,mssb,nssb,llnk,clnk,mlnk,nlnk,nlnkf, 13 integer lfnseq,mseq,nseq,mssb,nssb,mlnk,nlnk,nlnkf,lfnout
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H A D | argos_prep_wrtseq.F | 2 + cseq,lseq,mseq,nseq,lssb,mssb,nssb,llnk,clnk,mlnk,nlnk,nlnkf, 13 integer lfnseq,mseq,nseq,mssb,nssb,mlnk,nlnk,nlnkf,lfnout
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/prepar/ |
H A D | pre_pdbsiz.F | 2 + model,natm,nseq,nssb,nlnk,namslv,numslv,altloc,chain) 27 integer iunit,lfnout,model,natm,nseq,nssb,nchain,nlnk 39 nssb=0 128 nssb=nssb+1 225 write(lfnout,2002) filnam(1:length),natm,nseq,nssb,numslv
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H A D | pre_pdbseq.F | 3 + lssb,mssb,nssb,llnk,clnk,mlnk,nlnk,altloc,chain) 27 integer iunit,lfnout,model,mseq,nseq,matm,natm,mssb,nssb,mlnk,nlnk 48 nssb=0 126 nssb=nssb+1 127 if(nssb.gt.mssb) call md_abort('increase mssb',9999) 128 read(card,2007) lssb(1,nssb),lssb(2,nssb)
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H A D | pre_mkseq.F | 33 integer natm,nseq,nssb,nsgm,nlnk,maxscf,icyren,model,nxlnk 65 + natm,nseq,nssb,nlnk,slvnam,numslv,altloc,chain)) 75 nssb=0 84 mssb=nssb 162 + int_mb(i_lssb),mssb,nssb, 380 + int_mb(i_lssb),mssb,nssb,
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H A D | pre_wrtseq.F | 2 + cseq,lseq,mseq,nseq,lssb,mssb,nssb,llnk,clnk,mlnk,nlnk,nlnkf, 13 integer lfnseq,mseq,nseq,mssb,nssb,mlnk,nlnk,nlnkf,lfnout
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