Searched refs:_grad_rho_up (Results 1 – 12 of 12) sorted by relevance
/dports/science/qbox/qbox-public-rel1_73_3/src/ |
H A D | BHandHLYPFunctional.cpp | 58 _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()
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H A D | B3LYPFunctional.cpp | 59 _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()
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H A D | PBEFunctional.cpp | 61 _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()
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H A D | BLYPFunctional.cpp | 57 _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()
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H A D | HSEFunctional.cpp | 82 _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()
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H A D | RSHFunctional.cpp | 91 _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()
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H A D | HSEFunctional.h | 43 std::vector<double> _grad_rho[3], _grad_rho_up[3], _grad_rho_dn[3]; variable
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H A D | B3LYPFunctional.h | 32 std::vector<double> _grad_rho[3], _grad_rho_up[3], _grad_rho_dn[3]; variable
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H A D | BHandHLYPFunctional.h | 32 std::vector<double> _grad_rho[3], _grad_rho_up[3], _grad_rho_dn[3]; variable
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H A D | PBEFunctional.h | 31 std::vector<double> _grad_rho[3], _grad_rho_up[3], _grad_rho_dn[3]; variable
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H A D | BLYPFunctional.h | 31 std::vector<double> _grad_rho[3], _grad_rho_up[3], _grad_rho_dn[3]; variable
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H A D | RSHFunctional.h | 49 std::vector<double> _grad_rho[3], _grad_rho_up[3], _grad_rho_dn[3]; variable
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