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Searched refs:ewald3 (Results 1 – 16 of 16) sorted by relevance

/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/smd/graveyard/smd-9-10-08/
H A Dewald_excl.f5 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)
H A Dmd_frce.f22 real*8 ewald1,ewald2,ewald3,ewald4
39 ewald3=0.0
81 call ewald_excl(i,rij,rijsq,jbeg,jend,ewald3)
82 ecoul=ecoul+ewald3
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/smd/graveyard/smd-original/
H A Dewald_excl.f1 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)
H A Dmd_frce.f18 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
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/smd/graveyard/smd-serial/
H A Dewald_excl.f5 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)
H A Dmd_frce.f22 real*8 ewald1,ewald2,ewald3,ewald4
39 ewald3=0.0
81 call ewald_excl(i,rij,rijsq,jbeg,jend,ewald3)
82 ecoul=ecoul+ewald3
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/smd/graveyard/smd-subgroups/
H A Dewald_excl.f5 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)
H A Dmd_frce.f22 real*8 ewald1,ewald2,ewald3,ewald4
39 ewald3=0.0
81 call ewald_excl(i,rij,rijsq,jbeg,jend,ewald3)
82 ecoul=ecoul+ewald3
/dports/science/nwchem-data/nwchem-7.0.2-release/src/smd/graveyard/smd-subgroups/
H A Dewald_excl.f5 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)
H A Dmd_frce.f22 real*8 ewald1,ewald2,ewald3,ewald4
39 ewald3=0.0
81 call ewald_excl(i,rij,rijsq,jbeg,jend,ewald3)
82 ecoul=ecoul+ewald3
/dports/science/nwchem-data/nwchem-7.0.2-release/src/smd/graveyard/smd-original/
H A Dewald_excl.f1 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)
H A Dmd_frce.f18 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
/dports/science/nwchem-data/nwchem-7.0.2-release/src/smd/graveyard/smd-serial/
H A Dewald_excl.f5 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)
H A Dmd_frce.f22 real*8 ewald1,ewald2,ewald3,ewald4
39 ewald3=0.0
81 call ewald_excl(i,rij,rijsq,jbeg,jend,ewald3)
82 ecoul=ecoul+ewald3
/dports/science/nwchem-data/nwchem-7.0.2-release/src/smd/graveyard/smd-9-10-08/
H A Dewald_excl.f5 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)
H A Dmd_frce.f22 real*8 ewald1,ewald2,ewald3,ewald4
39 ewald3=0.0
81 call ewald_excl(i,rij,rijsq,jbeg,jend,ewald3)
82 ecoul=ecoul+ewald3