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ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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This is the complete list of members for XC_Functional, including all inherited members.
| becke88(const double &rho, const double &grho, double &sx, double &v1x, double &v2x) | XC_Functional | static |
| becke88_spin(double rho, double grho, double &sx, double &v1x, double &v2x) | XC_Functional | static |
| func_id | XC_Functional | privatestatic |
| func_type | XC_Functional | privatestatic |
| gcc_spin(double rho, double &zeta, double grho, double &sc, double &v1cup, double &v1cdw, double &v2c) | XC_Functional | static |
| gcx_spin(double rhoup, double rhodw, double grhoup2, double grhodw2, double &sx, double &v1xup, double &v1xdw, double &v2xup, double &v2xdw) | XC_Functional | static |
| gcxc(const double &rho, const double &grho, double &sxc, double &v1xc, double &v2xc) | XC_Functional | static |
| get_func_id() | XC_Functional | inlinestatic |
| get_func_type() | XC_Functional | inlinestatic |
| get_hybrid_alpha() | XC_Functional | inlinestatic |
| get_ked_flag() | XC_Functional | inlinestatic |
| ggac(const double &rho, const double &grho, double &sc, double &v1c, double &v2c) | XC_Functional | static |
| ggax(const double &rho, const double &grho, double &sx, double &v1x, double &v2x) | XC_Functional | static |
| gl(const double &rs, double &ec, double &vc) | XC_Functional | static |
| glyp(const double &rho, const double &grho, double &sc, double &v1c, double &v2c) | XC_Functional | static |
| grad_dot(const ModuleBase::Vector3< double > *h, double *dh, const ModulePW::PW_Basis *rho_basis, const double tpiba) | XC_Functional | static |
| grad_rho(const std::complex< double > *rhog, ModuleBase::Vector3< double > *gdr, const ModulePW::PW_Basis *rho_basis, const double tpiba) | XC_Functional | static |
| grad_wfc(const int ik, const Real tpiba, const ModulePW::PW_Basis_K *wfc_basis, const T *rhog, T *grad) | XC_Functional | static |
| gradcorr(double &etxc, double &vtxc, ModuleBase::matrix &v, const Charge *const chr, ModulePW::PW_Basis *rhopw, const UnitCell *ucell, std::vector< double > &stress_gga, const bool is_stress=false) | XC_Functional | static |
| hcth(const double rho, const double grho, double &sx, double &v1x, double &v2x) | XC_Functional | static |
| hl(const double &rs, double &ec, double &vc) | XC_Functional | static |
| hybrid_alpha | XC_Functional | privatestatic |
| ked_flag | XC_Functional | privatestatic |
| lyp(const double &rs, double &ec, double &vc) | XC_Functional | static |
| noncolin_rho(double *rhoout1, double *rhoout2, double *seg, const double *const *const rho, const int nrxx, const double *ux_, const bool lsign_) | XC_Functional | static |
| optx(const double rho, const double grho, double &sx, double &v1x, double &v2x) | XC_Functional | static |
| pbec(const double &rho, const double &grho, const int &flag, double &sc, double &v1c, double &v2c) | XC_Functional | static |
| pbec_spin(double rho, double zeta, double grho, const int &flag, double &sc, double &v1cup, double &v1cdw, double &v2c) | XC_Functional | static |
| pbex(const double &rho, const double &grho, const int &iflag, double &sx, double &v1x, double &v2x) | XC_Functional | static |
| perdew86(const double rho, const double grho, double &sc, double &v1c, double &v2c) | XC_Functional | static |
| perdew86_spin(double rho, double zeta, double grho, double &sc, double &v1cup, double &v1cdw, double &v2c) | XC_Functional | static |
| pw(const double &rs, const int &iflag, double &ec, double &vc) | XC_Functional | static |
| pw_spin(const double &rs, const double &zeta, double &ec, double &vcup, double &vcdw) | XC_Functional | static |
| pwcorr(const double r, const double c[], double &g, double &dg) | XC_Functional | static |
| pz(const double &rs, const int &iflag, double &ec, double &vc) | XC_Functional | static |
| pz_polarized(const double &rs, double &ec, double &vc) | XC_Functional | static |
| pz_spin(const double &rs, const double &zeta, double &ec, double &vcup, double &vcdw) | XC_Functional | static |
| scaling_factor_xc | XC_Functional | privatestatic |
| set_hybrid_alpha(const double alpha_in) | XC_Functional | static |
| set_xc_first_loop(const UnitCell &ucell) | XC_Functional | static |
| set_xc_type(const std::string xc_func_in) | XC_Functional | static |
| slater(const double &rs, double &ex, double &vx) | XC_Functional | static |
| slater1(const double &rs, double &ex, double &vx) | XC_Functional | static |
| slater1_spin(const double &rho, const double &zeta, double &ex, double &vxup, double &vxdw) | XC_Functional | static |
| slater_rxc(const double &rs, double &ex, double &vx) | XC_Functional | static |
| slater_rxc_spin(const double &rho, const double &z, double &ex, double &vxup, double &vxdw) | XC_Functional | static |
| slater_spin(const double &rho, const double &zeta, double &ex, double &vxup, double &vxdw) | XC_Functional | static |
| use_libxc | XC_Functional | privatestatic |
| v_xc(const int &nrxx, const Charge *const chr, const UnitCell *ucell) | XC_Functional | static |
| vwn(const double &rs, double &ec, double &vc) | XC_Functional | static |
| wcx(const double &rho, const double &grho, double &sx, double &v1x, double &v2x) | XC_Functional | static |
| wigner(const double &rs, double &ec, double &vc) | XC_Functional | static |
| xc(const double &rho, double &exc, double &vxc) | XC_Functional | static |
| XC_Functional() | XC_Functional | |
| xc_spin(const double &rho, const double &zeta, double &exc, double &vxcup, double &vxcdw) | XC_Functional | static |
| ~XC_Functional() | XC_Functional |
1.9.8