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

/dports/science/qbox/qbox-public-rel1_73_3/src/
H A DHSEFunctional.h40 std::vector<double> _exc, _exc_up, _exc_dn; variable
H A DB3LYPFunctional.h29 std::vector<double> _exc, _exc_up, _exc_dn; variable
H A DBHandHLYPFunctional.h29 std::vector<double> _exc, _exc_up, _exc_dn; variable
H A DPBEFunctional.h28 std::vector<double> _exc, _exc_up, _exc_dn; variable
H A DBLYPFunctional.h28 std::vector<double> _exc, _exc_up, _exc_dn; variable
H A DBHandHLYPFunctional.cpp51 _exc_dn.resize(_np); in BHandHLYPFunctional()
74 exc_dn = &_exc_dn[0]; in BHandHLYPFunctional()
H A DRSHFunctional.h46 std::vector<double> _exc, _exc_up, _exc_dn; variable
H A DB3LYPFunctional.cpp52 _exc_dn.resize(_np); in B3LYPFunctional()
75 exc_dn = &_exc_dn[0]; in B3LYPFunctional()
H A DPBEFunctional.cpp54 _exc_dn.resize(_np); in PBEFunctional()
77 exc_dn = &_exc_dn[0]; in PBEFunctional()
H A DBLYPFunctional.cpp50 _exc_dn.resize(_np); in BLYPFunctional()
73 exc_dn = &_exc_dn[0]; in BLYPFunctional()
H A DHSEFunctional.cpp75 _exc_dn.resize(_np); in HSEFunctional()
98 exc_dn = &_exc_dn[0]; in HSEFunctional()
H A DRSHFunctional.cpp84 _exc_dn.resize(_np); in RSHFunctional()
107 exc_dn = &_exc_dn[0]; in RSHFunctional()