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Searched refs:grx_dn (Results 1 – 8 of 8) sorted by relevance

/dports/science/qbox/qbox-public-rel1_73_3/src/
H A DBHandHLYPFunctional.cpp124 double grx_dn = grad_rho_dn[0][i]; in setxc() local
128 double grad_dn2 = grx_dn*grx_dn + gry_dn*gry_dn + grz_dn*grz_dn; in setxc()
129 double grad_up_grad_dn = grx_up*grx_dn + gry_up*gry_dn + grz_up*grz_dn; in setxc()
H A DB3LYPFunctional.cpp125 double grx_dn = grad_rho_dn[0][i]; in setxc() local
129 double grad_dn2 = grx_dn*grx_dn + gry_dn*gry_dn + grz_dn*grz_dn; in setxc()
130 double grad_up_grad_dn = grx_up*grx_dn + gry_up*gry_dn + grz_up*grz_dn; in setxc()
H A DXCPotential.cpp575 const double grx_dn = xcf_->grad_rho_dn[0][ir]; in compute_stress() local
578 const double grx2_dn = grx_dn * grx_dn; in compute_stress()
609 v2_dnup_ir * grx_dn * gry_up + in compute_stress()
610 v2_dndn_ir * grx_dn * gry_dn; in compute_stress()
619 v2_dnup_ir * grx_dn * grz_up + in compute_stress()
620 v2_dndn_ir * grx_dn * grz_dn; in compute_stress()
1189 const double grx2_dn = grx_dn * grx_dn; in compute_stress()
1227 v2_dnup_ir * grx_dn * gry_up + in compute_stress()
1228 v2_dndn_ir * grx_dn * gry_dn - in compute_stress()
1239 v2_dnup_ir * grx_dn * grz_up + in compute_stress()
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H A DPBEFunctional.cpp127 double grx_dn = grad_rho_dn[0][i]; in setxc() local
130 double grx = grx_up + grx_dn; in setxc()
134 double grad_dn = sqrt(grx_dn*grx_dn + gry_dn*gry_dn + grz_dn*grz_dn); in setxc()
H A DBLYPFunctional.cpp132 double grx_dn = grad_rho_dn[0][i]; in setxc() local
136 double grad_dn2 = grx_dn*grx_dn + gry_dn*gry_dn + grz_dn*grz_dn; in setxc()
137 double grad_up_grad_dn = grx_up*grx_dn + gry_up*gry_dn + grz_up*grz_dn; in setxc()
H A DHSEFunctional.cpp949 double grx_dn = grad_rho_dn[0][i]; in setxc() local
952 double grx = grx_up + grx_dn; in setxc()
958 sqrt(grx_dn * grx_dn + gry_dn * gry_dn + grz_dn * grz_dn); in setxc()
H A DRSHFunctional.cpp956 double grx_dn = grad_rho_dn[0][i]; in setxc() local
959 double grx = grx_up + grx_dn; in setxc()
965 sqrt(grx_dn * grx_dn + gry_dn * gry_dn + grz_dn * grz_dn); in setxc()
H A DSCANFunctional.cpp144 double grx_dn = grad_rho_dn[0][i]; in setxc() local
147 double grx = grx_up + grx_dn; in setxc()
151 double grad_dn = sqrt(grx_dn*grx_dn + gry_dn*gry_dn + grz_dn*grz_dn); in setxc()