| /dports/science/nwchem-data/nwchem-7.0.2-release/src/diana/ |
| H A D | dia_finish.F | 1 subroutine dia_finish(sgmnam,ltask) argument
10 character*16 sgmnam(nsa) local
85 subroutine dia_report(sgmnam,xrms,isel) argument
93 character*16 sgmnam(nsa) local
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| H A D | dia_index.F | 1 subroutine dia_index(sgmnam,ia,ja) argument
12 character*16 sgmnam(nsa) local
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| H A D | dia_tag.F | 1 subroutine dia_tag(sgmnam,x) argument
10 character*16 sgmnam(nsa) local
17 subroutine dia_settag(sgmnam,tag,val,x) argument
27 character*16 sgmnam(nsa) local
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| H A D | dia_getsel.F | 347 subroutine dia_listdist(sgmnam,last) argument
354 character*16 sgmnam(msa) local
367 subroutine dia_listangl(sgmnam,last) argument
374 character*16 sgmnam(msa) local
387 subroutine dia_listtors(sgmnam,last) argument
394 character*16 sgmnam(msa) local
505 subroutine dia_listord(sgmnam,last,ndordr) argument
513 character*16 sgmnam(msa) local
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| H A D | dia_groups.F | 1 subroutine dia_groups(sgmnam,imol,isel,wt,x) argument
13 character*16 sgmnam(nsa) local
48 subroutine dia_group(sgmnam,imol,isel,wt,x,iwrk) argument
60 character*16 sgmnam(nsa) local
91 character*16 sgmnam(nsa) local
156 character*16 sgmnam(nsa) local
232 subroutine dia_lochdr(sgmnam,imol,isel) argument
241 character*16 sgmnam(nsa) local
283 character*16 sgmnam(nsa) local
479 character*16 sgmnam(nsa) local
[all …]
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/analyz/ |
| H A D | ana_finish.F | 1 subroutine ana_finish(sgmnam,ltask) argument
82 subroutine ana_report(sgmnam,xrms,isel) argument
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| H A D | ana_groups.F | 1 subroutine ana_groups(card,sgmnam,imol,isel,wt,x) argument
49 subroutine ana_group(card,sgmnam,imol,isel,wt,x,iwrk) argument
84 subroutine ana_grpdis(sgmnam,imol,isel,wt,x,igr) argument
149 subroutine ana_grpvectors(sgmnam,imol,isel,wt,x,igr) argument
240 subroutine ana_lochdr(sgmnam,imol,isel) argument
282 subroutine ana_grploc(sgmnam,imol,isel,wt,x,igr,iwrk) argument
477 subroutine ana_grpcogdis(sgmnam,imol,isel,wt,x,igr) argument
556 subroutine ana_grpcogang(sgmnam,imol,isel,wt,x,igr) argument
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| H A D | ana_tag.F | 1 subroutine ana_tag(card,sgmnam,x) argument
18 subroutine ana_settag(card,sgmnam,tag,val,x) argument
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/analyz/ |
| H A D | ana_finish.F | 1 subroutine ana_finish(sgmnam,ltask) argument
82 subroutine ana_report(sgmnam,xrms,isel) argument
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| H A D | ana_groups.F | 1 subroutine ana_groups(card,sgmnam,imol,isel,wt,x) argument
49 subroutine ana_group(card,sgmnam,imol,isel,wt,x,iwrk) argument
84 subroutine ana_grpdis(sgmnam,imol,isel,wt,x,igr) argument
149 subroutine ana_grpvectors(sgmnam,imol,isel,wt,x,igr) argument
240 subroutine ana_lochdr(sgmnam,imol,isel) argument
282 subroutine ana_grploc(sgmnam,imol,isel,wt,x,igr,iwrk) argument
477 subroutine ana_grpcogdis(sgmnam,imol,isel,wt,x,igr) argument
556 subroutine ana_grpcogang(sgmnam,imol,isel,wt,x,igr) argument
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| H A D | ana_tag.F | 1 subroutine ana_tag(card,sgmnam,x) argument
18 subroutine ana_settag(card,sgmnam,tag,val,x) argument
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/diana/ |
| H A D | dia_finish.F | 1 subroutine dia_finish(sgmnam,ltask) argument
85 subroutine dia_report(sgmnam,xrms,isel) argument
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| H A D | dia_groups.F | 1 subroutine dia_groups(sgmnam,imol,isel,wt,x) argument
48 subroutine dia_group(sgmnam,imol,isel,wt,x,iwrk) argument
82 subroutine dia_grpdis(sgmnam,imol,isel,wt,x,igr) argument
147 subroutine dia_grpvectors(sgmnam,imol,isel,wt,x,igr) argument
232 subroutine dia_lochdr(sgmnam,imol,isel) argument
274 subroutine dia_grploc(sgmnam,imol,isel,wt,x,igr,iwrk) argument
469 subroutine dia_grpcogdis(sgmnam,imol,isel,wt,x,igr) argument
548 subroutine dia_grpcogang(sgmnam,imol,isel,wt,x,igr) argument
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| H A D | dia_tag.F | 1 subroutine dia_tag(sgmnam,x) argument
17 subroutine dia_settag(sgmnam,tag,val,x) argument
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| H A D | dia_getsel.F | 347 subroutine dia_listdist(sgmnam,last) argument
367 subroutine dia_listangl(sgmnam,last) argument
387 subroutine dia_listtors(sgmnam,last) argument
505 subroutine dia_listord(sgmnam,last,ndordr) argument
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/contrib/pdb_tools/pdb_amber2nwchem/ |
| H A D | pre_protein.F | 9 character*5 sgmnam local
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/argos/ |
| H A D | argos_diana_diehdr.F | 1 subroutine argos_diana_diehdr(sgmnam) argument
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| H A D | argos_diana_finish.F | 1 subroutine argos_diana_finish(sgmnam,ltask) argument
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| H A D | argos_diana_tag.F | 1 subroutine argos_diana_tag(sgmnam,x) argument
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| H A D | argos_diana_listangl.F | 1 subroutine argos_diana_listangl(sgmnam,last) argument
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| H A D | argos_diana_listdist.F | 1 subroutine argos_diana_listdist(sgmnam,last) argument
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/argos/ |
| H A D | argos_diana_diehdr.F | 1 subroutine argos_diana_diehdr(sgmnam) argument
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| H A D | argos_diana_tag.F | 1 subroutine argos_diana_tag(sgmnam,x) argument
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| H A D | argos_diana_finish.F | 1 subroutine argos_diana_finish(sgmnam,ltask) argument
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| H A D | argos_diana_listtors.F | 1 subroutine argos_diana_listtors(sgmnam,last) argument
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