| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/argos/ |
| H A D | argos_cafe_pmecor.F | 2 + nsaloc,ecorr) argument
9 integer ipset,nwmloc,nsaloc local
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| H A D | argos_cafe_fpme.F | 1 subroutine argos_cafe_fpme(fw,nwmloc,fs,isq,isgm,nsaloc,grid,mgz, argument
9 integer nwmloc,nsaloc,node,mgz local
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| H A D | argos_pme_forces.F | 1 subroutine argos_pme_forces(fw,nwmloc,fs,isq,isgm,nsaloc) argument
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| H A D | argos_cafe_pmec.F | 1 subroutine argos_cafe_pmec(ipset,xw,nwmloc,xs,isq,isgm,nsaloc, argument
9 integer ipset,nwmloc,nsaloc local
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| H A D | argos_pme_for.F | 1 subroutine argos_pme_for(fw,nwmloc,fs,isq,isgm,nsaloc, argument
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| H A D | argos_cafe_hopping.F | 18 integer issgm(msa),nsaloc,isgan(msa),ishop(msa),isq3(msa) local
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| H A D | argos_cafe_hoplist.F | 1 subroutine argos_cafe_hoplist(issgm,nsaloc,nhopl,lda,rda) argument
11 integer issgm(msa),nsaloc,nhopl(np) local
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| H A D | argos_cafe_hop.F | 15 integer lda(16,*),nsaloc,isgan(msa),ishop(msa) local
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| H A D | argos_pme_grid.F | 1 subroutine argos_pme_grid(ipset,xw,nwmloc,xs,isq,isgm,nsaloc, argument
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| H A D | argos_cafe_forpme.F | 2 + isq,isgm,nsaloc,chg,theta,dtheta, argument
10 integer nwmloc,nsaloc,node,mgz local
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| H A D | argos_cafe_pmeset.F | 1 subroutine argos_cafe_pmeset(xw,yw,nwmloc,xs,ys,nsaloc, argument
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/cafe/ |
| H A D | pme_grid.F | 1 subroutine pme_chgrid(ipset,xw,nwmloc,xs,isq,isgm,nsaloc,epme) argument
88 subroutine pme_energy(ipset,xw,nwmloc,xs,isq,isgm,nsaloc,epme) argument
135 subroutine pme_grid(ipset,xw,nwmloc,xs,isq,isgm,nsaloc, argument
367 subroutine pme_forces(fw,nwmloc,fs,isq,isgm,nsaloc) argument
383 subroutine pme_for(fw,nwmloc,fs,isq,isgm,nsaloc,lnode,kfrom,kto) argument
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| H A D | cf_grid.F | 37 subroutine cf_chgrid(lset,ipset,xw,nwmloc,xs,isq,isgm,nsaloc, argument
207 subroutine cf_pmeset(xw,yw,nwmloc,xs,ys,nsaloc,theta,dtheta) argument
421 subroutine cf_fpme(fw,nwmloc,fs,isq,isgm,nsaloc,grid,mgz, argument
443 subroutine cf_forpme(yw,fw,iwq,nwmloc,ys,fs,isq,isgm,nsaloc, argument
549 subroutine cf_pmecor(ipset,xw,nwmloc,xs,isq,isgm,nsaloc,ecorr) argument
565 subroutine cf_pmec(ipset,xw,nwmloc,xs,isq,isgm,nsaloc, argument
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| H A D | cf_uhop.F | 1 subroutine cf_uhop(lpbc,lpbcs,lseq,isl,isgm,isga,isq3,xs,nsaloc, argument
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/cafe/ |
| H A D | pme_grid.F | 1 subroutine pme_chgrid(ipset,xw,nwmloc,xs,isq,isgm,nsaloc,epme) argument
88 subroutine pme_energy(ipset,xw,nwmloc,xs,isq,isgm,nsaloc,epme) argument
135 subroutine pme_grid(ipset,xw,nwmloc,xs,isq,isgm,nsaloc, argument
367 subroutine pme_forces(fw,nwmloc,fs,isq,isgm,nsaloc) argument
383 subroutine pme_for(fw,nwmloc,fs,isq,isgm,nsaloc,lnode,kfrom,kto) argument
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| H A D | cf_grid.F | 37 subroutine cf_chgrid(lset,ipset,xw,nwmloc,xs,isq,isgm,nsaloc, argument
207 subroutine cf_pmeset(xw,yw,nwmloc,xs,ys,nsaloc,theta,dtheta) argument
401 subroutine cf_fpme(fw,nwmloc,fs,isq,isgm,nsaloc,grid,mgz, argument
423 subroutine cf_forpme(yw,fw,iwq,nwmloc,ys,fs,isq,isgm,nsaloc, argument
529 subroutine cf_pmecor(ipset,xw,nwmloc,xs,isq,isgm,nsaloc,ecorr) argument
545 subroutine cf_pmec(ipset,xw,nwmloc,xs,isq,isgm,nsaloc, argument
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| H A D | cf_uhop.F | 1 subroutine cf_uhop(lpbc,lpbcs,lseq,isl,isgm,isga,isq3,xs,nsaloc, argument
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/argos/ |
| H A D | argos_pme_forces.F | 1 subroutine argos_pme_forces(fw,nwmloc,fs,isq,isgm,nsaloc) argument
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| H A D | argos_pme_for.F | 1 subroutine argos_pme_for(fw,nwmloc,fs,isq,isgm,nsaloc, argument
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| H A D | argos_cafe_fpme.F | 1 subroutine argos_cafe_fpme(fw,nwmloc,fs,isq,isgm,nsaloc,grid,mgz, argument
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| H A D | argos_cafe_pmec.F | 1 subroutine argos_cafe_pmec(ipset,xw,nwmloc,xs,isq,isgm,nsaloc, argument
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| H A D | argos_pme_grid.F | 1 subroutine argos_pme_grid(ipset,xw,nwmloc,xs,isq,isgm,nsaloc, argument
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| H A D | argos_cafe_uhop.F | 2 + isq3,xs,nsaloc,chg,lda,rda,uda) argument
13 integer nsaloc local
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| H A D | argos_cafe_hoplist.F | 1 subroutine argos_cafe_hoplist(issgm,nsaloc,nhopl,lda,rda) argument
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| H A D | argos_cafe_pmeset.F | 1 subroutine argos_cafe_pmeset(xw,yw,nwmloc,xs,ys,nsaloc, argument
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