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Searched refs:BHandHLYPFunctional (Results 1 – 10 of 10) sorted by relevance

/dports/science/qbox/qbox-public-rel1_73_3/src/
H A DBHandHLYPFunctional.h25 class BHandHLYPFunctional : public XCFunctional
27 BHandHLYPFunctional();
44 BHandHLYPFunctional(const std::vector<std::vector<double> > &rhoe);
H A DBHandHLYPFunctional.cpp26 BHandHLYPFunctional::BHandHLYPFunctional(const vector<vector<double> > &rhoe) in BHandHLYPFunctional() function in BHandHLYPFunctional
85 void BHandHLYPFunctional::setxc(void) in setxc()
140 void BHandHLYPFunctional::excbhandhlyp(double rho, double grad, in excbhandhlyp()
171 void BHandHLYPFunctional::excbhandhlyp(double rho_up, double rho_dn, in excbhandhlyp()
H A DMakefile36 B3LYPFunctional.o BHandHLYPFunctional.o \
131 BHandHLYPFunctional.o SCANFunctional.o \
H A DXCPotential.cpp86 xcf_ = new BHandHLYPFunctional(rhototal_r_); in XCPotential()
/dports/science/ergo/ergo-3.8/source/dft/
H A Dfunctionals.c74 &BHandHLYPFunctional,
H A Dfunctionals.h451 extern Functional BHandHLYPFunctional;
H A Dfun-gga.c102 Functional BHandHLYPFunctional = GGA_FUNCTIONAL("BHandHLYP", bhandhlyp_read); variable
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/dft/
H A Dfunctionals.h407 extern Functional BHandHLYPFunctional;
H A Dfun-gga.c163 Functional BHandHLYPFunctional = GGA_FUNCTIONAL("BHandHLYP", 3, bhandhlyp_read); variable
H A Dfunctionals.c113 &BHandHLYPFunctional,