| apply_xc_kernel(const real_function_3d &density, const vecfuncT grad_dens_pt=vecfuncT()) const | madness::XCOperator< T, NDIM > | |
| compute_xc_energy() const | madness::XCOperator< T, NDIM > | |
| dft_deriv | madness::XCOperator< T, NDIM > | private |
| extra_truncation | madness::XCOperator< T, NDIM > | private |
| functionT typedef | madness::SCFOperatorBase< T, NDIM > | |
| info() const | madness::XCOperator< T, NDIM > | inlinevirtual |
| is_initialized() const | madness::XCOperator< T, NDIM > | inlineprivate |
| ispin | madness::XCOperator< T, NDIM > | mutableprivate |
| make_xc_potential() const | madness::XCOperator< T, NDIM > | |
| nbeta | madness::XCOperator< T, NDIM > | private |
| ncf | madness::XCOperator< T, NDIM > | private |
| operator()(const std::vector< Function< T, NDIM > > &vket) const | madness::XCOperator< T, NDIM > | |
| operator()(const Function< T, NDIM > &ket) const | madness::XCOperator< T, NDIM > | inlinevirtual |
| operator()(const Function< T, NDIM > &bra, const Function< T, NDIM > &ket) const | madness::XCOperator< T, NDIM > | inlinevirtual |
| operator()(const std::vector< Function< T, NDIM >> &vbra, const std::vector< Function< T, NDIM >> &vket) const | madness::XCOperator< T, NDIM > | inline |
| madness::SCFOperatorBase::operator()(const vecfuncT &vket) const =0 | madness::SCFOperatorBase< T, NDIM > | pure virtual |
| madness::SCFOperatorBase::operator()(const vecfuncT &vbra, const vecfuncT &vket) const =0 | madness::SCFOperatorBase< T, NDIM > | pure virtual |
| prep_xc_args(const real_function_3d &arho, const real_function_3d &brho) const | madness::XCOperator< T, NDIM > | private |
| prep_xc_args_response(const real_function_3d &dens_pt, vecfuncT &xc_args, vecfuncT &ddens_pt) const | madness::XCOperator< T, NDIM > | private |
| SCFOperatorBase()=default | madness::SCFOperatorBase< T, NDIM > | |
| SCFOperatorBase(std::shared_ptr< MacroTaskQ > taskq) | madness::SCFOperatorBase< T, NDIM > | inline |
| set_extra_truncation(const double &fac) | madness::XCOperator< T, NDIM > | inline |
| set_ispin(const int i) const | madness::XCOperator< T, NDIM > | inline |
| taskq | madness::SCFOperatorBase< T, NDIM > | |
| tensorT typedef | madness::SCFOperatorBase< T, NDIM > | |
| vecfuncT typedef | madness::SCFOperatorBase< T, NDIM > | |
| world | madness::XCOperator< T, NDIM > | private |
| xc | madness::XCOperator< T, NDIM > | |
| xc_args | madness::XCOperator< T, NDIM > | mutableprivate |
| XCOperator(World &world) | madness::XCOperator< T, NDIM > | inline |
| XCOperator(World &world, std::string xc_data, const bool spin_polarized, const real_function_3d &arho, const real_function_3d &brho, std::string deriv="abgv") | madness::XCOperator< T, NDIM > | |
| XCOperator(World &world, const SCF *scf, int ispin=0, std::string deriv="abgv") | madness::XCOperator< T, NDIM > | |
| XCOperator(World &world, const Nemo *nemo, int ispin=0) | madness::XCOperator< T, NDIM > | |
| XCOperator(World &world, const SCF *scf, const real_function_3d &arho, const real_function_3d &brho, int ispin=0, std::string deriv="abgv") | madness::XCOperator< T, NDIM > | |
| XCOperator(World &world, const Nemo *scf, const real_function_3d &arho, const real_function_3d &brho, int ispin=0) | madness::XCOperator< T, NDIM > | |
| ~SCFOperatorBase() | madness::SCFOperatorBase< T, NDIM > | inlinevirtual |
