| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/smd/graveyard/smd-serial/ |
| H A D | ewald_recp.f | 19 real*8 kcoeff,factor,force,ewald2 local
95 kcoeff=exp(rksq*ralphsq)/rksq
96 ewald2=ewald2+factor*kcoeff*conjg(rhosum)*rhosum
101 force=-factor*2.0*twopi*convfct1/vol*kcoeff*
|
| H A D | smd_ewald_generic.F | 42 real*8 kcoeff,factor,force,ewald2
114 kcoeff=exp(rksq*ralphsq)/rksq
115 ewald2=ewald2+factor*kcoeff*conjg(rhosum)*rhosum
118 force=-factor*2.0*twopi*convfct1/vol*kcoeff*
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/smd/graveyard/smd-9-10-08/ |
| H A D | ewald_recp.f | 19 real*8 kcoeff,factor,force,ewald2 local
95 kcoeff=exp(rksq*ralphsq)/rksq
96 ewald2=ewald2+factor*kcoeff*conjg(rhosum)*rhosum
101 force=-factor*2.0*twopi*convfct1/vol*kcoeff*
|
| H A D | smd_ewald_generic.F | 42 real*8 kcoeff,factor,force,ewald2 local
114 kcoeff=exp(rksq*ralphsq)/rksq
115 ewald2=ewald2+factor*kcoeff*conjg(rhosum)*rhosum
118 force=-factor*2.0*twopi*convfct1/vol*kcoeff*
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/smd/graveyard/smd-original/ |
| H A D | ewald_recp.f | 15 real*8 kcoeff,factor,force,ewald2 local
91 kcoeff=exp(rksq*ralphsq)/rksq
92 ewald2=ewald2+factor*kcoeff*conjg(rhosum)*rhosum
97 force=-factor*2.0*twopi*convfct1/vol*kcoeff*
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/smd/graveyard/smd-subgroups/ |
| H A D | ewald_recp.f | 19 real*8 kcoeff,factor,force,ewald2 local
95 kcoeff=exp(rksq*ralphsq)/rksq
96 ewald2=ewald2+factor*kcoeff*conjg(rhosum)*rhosum
101 force=-factor*2.0*twopi*convfct1/vol*kcoeff*
|
| H A D | smd_ewald_generic.F | 42 real*8 kcoeff,factor,force,ewald2
114 kcoeff=exp(rksq*ralphsq)/rksq
115 ewald2=ewald2+factor*kcoeff*conjg(rhosum)*rhosum
118 force=-factor*2.0*twopi*convfct1/vol*kcoeff*
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/smd/graveyard/smd-serial/ |
| H A D | ewald_recp.f | 19 real*8 kcoeff,factor,force,ewald2 local
95 kcoeff=exp(rksq*ralphsq)/rksq
96 ewald2=ewald2+factor*kcoeff*conjg(rhosum)*rhosum
101 force=-factor*2.0*twopi*convfct1/vol*kcoeff*
|
| H A D | smd_ewald_generic.F | 42 real*8 kcoeff,factor,force,ewald2
114 kcoeff=exp(rksq*ralphsq)/rksq
115 ewald2=ewald2+factor*kcoeff*conjg(rhosum)*rhosum
118 force=-factor*2.0*twopi*convfct1/vol*kcoeff*
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/smd/graveyard/smd-9-10-08/ |
| H A D | ewald_recp.f | 19 real*8 kcoeff,factor,force,ewald2 local
95 kcoeff=exp(rksq*ralphsq)/rksq
96 ewald2=ewald2+factor*kcoeff*conjg(rhosum)*rhosum
101 force=-factor*2.0*twopi*convfct1/vol*kcoeff*
|
| H A D | smd_ewald_generic.F | 42 real*8 kcoeff,factor,force,ewald2
114 kcoeff=exp(rksq*ralphsq)/rksq
115 ewald2=ewald2+factor*kcoeff*conjg(rhosum)*rhosum
118 force=-factor*2.0*twopi*convfct1/vol*kcoeff*
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/smd/graveyard/smd-original/ |
| H A D | ewald_recp.f | 15 real*8 kcoeff,factor,force,ewald2 local
91 kcoeff=exp(rksq*ralphsq)/rksq
92 ewald2=ewald2+factor*kcoeff*conjg(rhosum)*rhosum
97 force=-factor*2.0*twopi*convfct1/vol*kcoeff*
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/smd/graveyard/smd-subgroups/ |
| H A D | ewald_recp.f | 19 real*8 kcoeff,factor,force,ewald2 local
95 kcoeff=exp(rksq*ralphsq)/rksq
96 ewald2=ewald2+factor*kcoeff*conjg(rhosum)*rhosum
101 force=-factor*2.0*twopi*convfct1/vol*kcoeff*
|
| H A D | smd_ewald_generic.F | 42 real*8 kcoeff,factor,force,ewald2
114 kcoeff=exp(rksq*ralphsq)/rksq
115 ewald2=ewald2+factor*kcoeff*conjg(rhosum)*rhosum
118 force=-factor*2.0*twopi*convfct1/vol*kcoeff*
|
| /dports/math/gap/gap-4.11.0/pkg/polycyclic-2.15.1/gap/matrix/ |
| H A D | latbases.gi | 81 return rec( fcoeff := cf, kcoeff := ck );
169 return CoefficientsByNHLB( vec, hom ).kcoeff;
224 sub := List( hom.fac.kern, x -> CoefficientsByNHLB(x*mat, hom).kcoeff );
241 return List( hom.fac.kern, x -> CoefficientsByNHLB(x*mat, hom).kcoeff );
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/smd/smdlib/ |
| H A D | smd_ewald_generic.F | 42 real*8 kcoeff,factor,force,ewald2 local
114 kcoeff=exp(rksq*ralphsq)/rksq
115 ewald2=ewald2+factor*kcoeff*conjg(rhosum)*rhosum
118 force=-factor*2.0*twopi*convfct1/vol*kcoeff*
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/smd/graveyard/smd-new/ |
| H A D | smd_ewald_generic.F | 42 real*8 kcoeff,factor,force,ewald2
114 kcoeff=exp(rksq*ralphsq)/rksq
115 ewald2=ewald2+factor*kcoeff*conjg(rhosum)*rhosum
118 force=-factor*2.0*twopi*convfct1/vol*kcoeff*
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/smd/smdlib/ |
| H A D | smd_ewald_generic.F | 42 real*8 kcoeff,factor,force,ewald2
114 kcoeff=exp(rksq*ralphsq)/rksq
115 ewald2=ewald2+factor*kcoeff*conjg(rhosum)*rhosum
118 force=-factor*2.0*twopi*convfct1/vol*kcoeff*
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/smd/graveyard/smd-new/ |
| H A D | smd_ewald_generic.F | 42 real*8 kcoeff,factor,force,ewald2
114 kcoeff=exp(rksq*ralphsq)/rksq
115 ewald2=ewald2+factor*kcoeff*conjg(rhosum)*rhosum
118 force=-factor*2.0*twopi*convfct1/vol*kcoeff*
|
| /dports/science/elmerfem/elmerfem-release-9.0/fem/src/modules/ |
| H A D | CompressibleNS.F90 | 75 gamma, cv, kcoeff, rho0, T0, lambda, bulkvisc local
206 kcoeff = ListGetConstReal( Material, 'Heat Conductivity')
258 PicardIteration, gamma, cv, kcoeff, lambda, T0, rho0)
|