Searched refs:BHandHLYPFunctional (Results 1 – 10 of 10) sorted by relevance
25 class BHandHLYPFunctional : public XCFunctional27 BHandHLYPFunctional();44 BHandHLYPFunctional(const std::vector<std::vector<double> > &rhoe);
26 BHandHLYPFunctional::BHandHLYPFunctional(const vector<vector<double> > &rhoe) in BHandHLYPFunctional() function in BHandHLYPFunctional85 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()
36 B3LYPFunctional.o BHandHLYPFunctional.o \131 BHandHLYPFunctional.o SCANFunctional.o \
86 xcf_ = new BHandHLYPFunctional(rhototal_r_); in XCPotential()
74 &BHandHLYPFunctional,
451 extern Functional BHandHLYPFunctional;
102 Functional BHandHLYPFunctional = GGA_FUNCTIONAL("BHandHLYP", bhandhlyp_read); variable
407 extern Functional BHandHLYPFunctional;
163 Functional BHandHLYPFunctional = GGA_FUNCTIONAL("BHandHLYP", 3, bhandhlyp_read); variable
113 &BHandHLYPFunctional,