Searched refs:grad_rho_dn (Results 1 – 9 of 9) sorted by relevance
70 grad_rho_dn[0] = &_grad_rho_dn[0][0]; in BHandHLYPFunctional()71 grad_rho_dn[1] = &_grad_rho_dn[1][0]; in BHandHLYPFunctional()72 grad_rho_dn[2] = &_grad_rho_dn[2][0]; in BHandHLYPFunctional()109 assert( grad_rho_dn[0] != 0 && grad_rho_dn[1] != 0 && grad_rho_dn[2] != 0 ); in setxc()124 double grx_dn = grad_rho_dn[0][i]; in setxc()125 double gry_dn = grad_rho_dn[1][i]; in setxc()126 double grz_dn = grad_rho_dn[2][i]; in setxc()
67 double *grad_rho[3], *grad_rho_up[3], *grad_rho_dn[3]; variable88 grad_rho_dn[0] = grad_rho_dn[1] = grad_rho_dn[2] = 0; in XCFunctional()
71 grad_rho_dn[0] = &_grad_rho_dn[0][0]; in B3LYPFunctional()72 grad_rho_dn[1] = &_grad_rho_dn[1][0]; in B3LYPFunctional()73 grad_rho_dn[2] = &_grad_rho_dn[2][0]; in B3LYPFunctional()110 assert( grad_rho_dn[0] != 0 && grad_rho_dn[1] != 0 && grad_rho_dn[2] != 0 ); in setxc()125 double grx_dn = grad_rho_dn[0][i]; in setxc()126 double gry_dn = grad_rho_dn[1][i]; in setxc()127 double grz_dn = grad_rho_dn[2][i]; in setxc()
73 grad_rho_dn[0] = &_grad_rho_dn[0][0]; in PBEFunctional()74 grad_rho_dn[1] = &_grad_rho_dn[1][0]; in PBEFunctional()75 grad_rho_dn[2] = &_grad_rho_dn[2][0]; in PBEFunctional()111 assert( grad_rho_dn[0] != 0 && grad_rho_dn[1] != 0 && grad_rho_dn[2] != 0 ); in setxc()127 double grx_dn = grad_rho_dn[0][i]; in setxc()128 double gry_dn = grad_rho_dn[1][i]; in setxc()129 double grz_dn = grad_rho_dn[2][i]; in setxc()
69 grad_rho_dn[0] = &_grad_rho_dn[0][0]; in BLYPFunctional()70 grad_rho_dn[1] = &_grad_rho_dn[1][0]; in BLYPFunctional()71 grad_rho_dn[2] = &_grad_rho_dn[2][0]; in BLYPFunctional()115 assert( grad_rho_dn[0] != 0 && grad_rho_dn[1] != 0 && grad_rho_dn[2] != 0 ); in setxc()132 double grx_dn = grad_rho_dn[0][i]; in setxc()133 double gry_dn = grad_rho_dn[1][i]; in setxc()134 double grz_dn = grad_rho_dn[2][i]; in setxc()
94 grad_rho_dn[0] = &_grad_rho_dn[0][0]; in HSEFunctional()95 grad_rho_dn[1] = &_grad_rho_dn[1][0]; in HSEFunctional()96 grad_rho_dn[2] = &_grad_rho_dn[2][0]; in HSEFunctional()932 assert(grad_rho_dn[0] != 0 && grad_rho_dn[1] != 0 && grad_rho_dn[2] != 0); in setxc()949 double grx_dn = grad_rho_dn[0][i]; in setxc()950 double gry_dn = grad_rho_dn[1][i]; in setxc()951 double grz_dn = grad_rho_dn[2][i]; in setxc()
103 grad_rho_dn[0] = &_grad_rho_dn[0][0]; in RSHFunctional()104 grad_rho_dn[1] = &_grad_rho_dn[1][0]; in RSHFunctional()105 grad_rho_dn[2] = &_grad_rho_dn[2][0]; in RSHFunctional()939 assert(grad_rho_dn[0] != 0 && grad_rho_dn[1] != 0 && grad_rho_dn[2] != 0); in setxc()956 double grx_dn = grad_rho_dn[0][i]; in setxc()957 double gry_dn = grad_rho_dn[1][i]; in setxc()958 double grz_dn = grad_rho_dn[2][i]; in setxc()
81 grad_rho_dn[0] = &grad_rho_dn_[0][0]; in SCANFunctional()82 grad_rho_dn[1] = &grad_rho_dn_[1][0]; in SCANFunctional()83 grad_rho_dn[2] = &grad_rho_dn_[2][0]; in SCANFunctional()125 assert( grad_rho_dn[0] != 0 && grad_rho_dn[1] != 0 && grad_rho_dn[2] != 0 ); in setxc()144 double grx_dn = grad_rho_dn[0][i]; in setxc()145 double gry_dn = grad_rho_dn[1][i]; in setxc()146 double grz_dn = grad_rho_dn[2][i]; in setxc()
273 double *grj_dn = xcf_->grad_rho_dn[j]; in update()342 const double *grj_dn = xcf_->grad_rho_dn[j]; in update()575 const double grx_dn = xcf_->grad_rho_dn[0][ir]; in compute_stress()576 const double gry_dn = xcf_->grad_rho_dn[1][ir]; in compute_stress()577 const double grz_dn = xcf_->grad_rho_dn[2][ir]; in compute_stress()1186 const double grx_dn = xcf_->grad_rho_dn[0][ir]; in compute_stress()1187 const double gry_dn = xcf_->grad_rho_dn[1][ir]; in compute_stress()1188 const double grz_dn = xcf_->grad_rho_dn[2][ir]; in compute_stress()