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Searched refs:_grad_rho_up (Results 1 – 12 of 12) sorted by relevance

/dports/science/qbox/qbox-public-rel1_73_3/src/
H A DBHandHLYPFunctional.cpp58 _grad_rho_up[0].resize(_np); in BHandHLYPFunctional()
59 _grad_rho_up[1].resize(_np); in BHandHLYPFunctional()
60 _grad_rho_up[2].resize(_np); in BHandHLYPFunctional()
67 grad_rho_up[0] = &_grad_rho_up[0][0]; in BHandHLYPFunctional()
68 grad_rho_up[1] = &_grad_rho_up[1][0]; in BHandHLYPFunctional()
69 grad_rho_up[2] = &_grad_rho_up[2][0]; in BHandHLYPFunctional()
H A DB3LYPFunctional.cpp59 _grad_rho_up[0].resize(_np); in B3LYPFunctional()
60 _grad_rho_up[1].resize(_np); in B3LYPFunctional()
61 _grad_rho_up[2].resize(_np); in B3LYPFunctional()
68 grad_rho_up[0] = &_grad_rho_up[0][0]; in B3LYPFunctional()
69 grad_rho_up[1] = &_grad_rho_up[1][0]; in B3LYPFunctional()
70 grad_rho_up[2] = &_grad_rho_up[2][0]; in B3LYPFunctional()
H A DPBEFunctional.cpp61 _grad_rho_up[0].resize(_np); in PBEFunctional()
62 _grad_rho_up[1].resize(_np); in PBEFunctional()
63 _grad_rho_up[2].resize(_np); in PBEFunctional()
70 grad_rho_up[0] = &_grad_rho_up[0][0]; in PBEFunctional()
71 grad_rho_up[1] = &_grad_rho_up[1][0]; in PBEFunctional()
72 grad_rho_up[2] = &_grad_rho_up[2][0]; in PBEFunctional()
H A DBLYPFunctional.cpp57 _grad_rho_up[0].resize(_np); in BLYPFunctional()
58 _grad_rho_up[1].resize(_np); in BLYPFunctional()
59 _grad_rho_up[2].resize(_np); in BLYPFunctional()
66 grad_rho_up[0] = &_grad_rho_up[0][0]; in BLYPFunctional()
67 grad_rho_up[1] = &_grad_rho_up[1][0]; in BLYPFunctional()
68 grad_rho_up[2] = &_grad_rho_up[2][0]; in BLYPFunctional()
H A DHSEFunctional.cpp82 _grad_rho_up[0].resize(_np); in HSEFunctional()
83 _grad_rho_up[1].resize(_np); in HSEFunctional()
84 _grad_rho_up[2].resize(_np); in HSEFunctional()
91 grad_rho_up[0] = &_grad_rho_up[0][0]; in HSEFunctional()
92 grad_rho_up[1] = &_grad_rho_up[1][0]; in HSEFunctional()
93 grad_rho_up[2] = &_grad_rho_up[2][0]; in HSEFunctional()
H A DRSHFunctional.cpp91 _grad_rho_up[0].resize(_np); in RSHFunctional()
92 _grad_rho_up[1].resize(_np); in RSHFunctional()
93 _grad_rho_up[2].resize(_np); in RSHFunctional()
100 grad_rho_up[0] = &_grad_rho_up[0][0]; in RSHFunctional()
101 grad_rho_up[1] = &_grad_rho_up[1][0]; in RSHFunctional()
102 grad_rho_up[2] = &_grad_rho_up[2][0]; in RSHFunctional()
H A DHSEFunctional.h43 std::vector<double> _grad_rho[3], _grad_rho_up[3], _grad_rho_dn[3]; variable
H A DB3LYPFunctional.h32 std::vector<double> _grad_rho[3], _grad_rho_up[3], _grad_rho_dn[3]; variable
H A DBHandHLYPFunctional.h32 std::vector<double> _grad_rho[3], _grad_rho_up[3], _grad_rho_dn[3]; variable
H A DPBEFunctional.h31 std::vector<double> _grad_rho[3], _grad_rho_up[3], _grad_rho_dn[3]; variable
H A DBLYPFunctional.h31 std::vector<double> _grad_rho[3], _grad_rho_up[3], _grad_rho_dn[3]; variable
H A DRSHFunctional.h49 std::vector<double> _grad_rho[3], _grad_rho_up[3], _grad_rho_dn[3]; variable