/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/smd/graveyard/smd-9-10-08/ |
H A D | ewald_excl.f | 5 SUBROUTINE ewald_excl(iii,rij,rijsq,jbeg,jend,ewald3) argument 20 real*8 ewald3,erfxc,force local 24 ewald3=0.0 39 ewald3=ewald3-convfct1*typchge(iatm)*typchge(jatm)
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H A D | md_frce.f | 22 real*8 ewald1,ewald2,ewald3,ewald4 39 ewald3=0.0 81 call ewald_excl(i,rij,rijsq,jbeg,jend,ewald3) 82 ecoul=ecoul+ewald3
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/smd/graveyard/smd-original/ |
H A D | ewald_excl.f | 1 SUBROUTINE ewald_excl(iii,rij,rijsq,jbeg,jend,ewald3) argument 16 real*8 ewald3,erfxc,force local 20 ewald3=0.0 35 ewald3=ewald3-convfct1*typchge(iatm)*typchge(jatm)
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H A D | md_frce.f | 18 real*8 ewald1,ewald2,ewald3,ewald4 local 37 ewald3=0.0 80 call ewald_excl(i,rij,rijsq,jbeg,jend,ewald3) 81 ewald_excluded = ewald_excluded + ewald3 82 ecoul=ecoul+ewald3
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/smd/graveyard/smd-serial/ |
H A D | ewald_excl.f | 5 SUBROUTINE ewald_excl(iii,rij,rijsq,jbeg,jend,ewald3) argument 20 real*8 ewald3,erfxc,force local 24 ewald3=0.0 39 ewald3=ewald3-convfct1*typchge(iatm)*typchge(jatm)
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H A D | md_frce.f | 22 real*8 ewald1,ewald2,ewald3,ewald4 39 ewald3=0.0 81 call ewald_excl(i,rij,rijsq,jbeg,jend,ewald3) 82 ecoul=ecoul+ewald3
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/smd/graveyard/smd-subgroups/ |
H A D | ewald_excl.f | 5 SUBROUTINE ewald_excl(iii,rij,rijsq,jbeg,jend,ewald3) argument 20 real*8 ewald3,erfxc,force local 24 ewald3=0.0 39 ewald3=ewald3-convfct1*typchge(iatm)*typchge(jatm)
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H A D | md_frce.f | 22 real*8 ewald1,ewald2,ewald3,ewald4 39 ewald3=0.0 81 call ewald_excl(i,rij,rijsq,jbeg,jend,ewald3) 82 ecoul=ecoul+ewald3
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/smd/graveyard/smd-subgroups/ |
H A D | ewald_excl.f | 5 SUBROUTINE ewald_excl(iii,rij,rijsq,jbeg,jend,ewald3) argument 20 real*8 ewald3,erfxc,force local 24 ewald3=0.0 39 ewald3=ewald3-convfct1*typchge(iatm)*typchge(jatm)
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H A D | md_frce.f | 22 real*8 ewald1,ewald2,ewald3,ewald4 39 ewald3=0.0 81 call ewald_excl(i,rij,rijsq,jbeg,jend,ewald3) 82 ecoul=ecoul+ewald3
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/smd/graveyard/smd-original/ |
H A D | ewald_excl.f | 1 SUBROUTINE ewald_excl(iii,rij,rijsq,jbeg,jend,ewald3) argument 16 real*8 ewald3,erfxc,force local 20 ewald3=0.0 35 ewald3=ewald3-convfct1*typchge(iatm)*typchge(jatm)
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H A D | md_frce.f | 18 real*8 ewald1,ewald2,ewald3,ewald4 37 ewald3=0.0 80 call ewald_excl(i,rij,rijsq,jbeg,jend,ewald3) 81 ewald_excluded = ewald_excluded + ewald3 82 ecoul=ecoul+ewald3
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/smd/graveyard/smd-serial/ |
H A D | ewald_excl.f | 5 SUBROUTINE ewald_excl(iii,rij,rijsq,jbeg,jend,ewald3) argument 20 real*8 ewald3,erfxc,force local 24 ewald3=0.0 39 ewald3=ewald3-convfct1*typchge(iatm)*typchge(jatm)
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H A D | md_frce.f | 22 real*8 ewald1,ewald2,ewald3,ewald4 39 ewald3=0.0 81 call ewald_excl(i,rij,rijsq,jbeg,jend,ewald3) 82 ecoul=ecoul+ewald3
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/smd/graveyard/smd-9-10-08/ |
H A D | ewald_excl.f | 5 SUBROUTINE ewald_excl(iii,rij,rijsq,jbeg,jend,ewald3) argument 20 real*8 ewald3,erfxc,force local 24 ewald3=0.0 39 ewald3=ewald3-convfct1*typchge(iatm)*typchge(jatm)
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H A D | md_frce.f | 22 real*8 ewald1,ewald2,ewald3,ewald4 39 ewald3=0.0 81 call ewald_excl(i,rij,rijsq,jbeg,jend,ewald3) 82 ecoul=ecoul+ewald3
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