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MADNESS 0.10.1
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This is the complete list of members for madness::XCOperator< T, NDIM >, including all inherited members.
| allow_weak_form() | madness::XCOperator< T, NDIM > | inline |
| apply_tau_term(const std::vector< Function< T, NDIM > > &vket) const | madness::XCOperator< T, NDIM > | |
| 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 |
| div_dft_deriv(const vecfuncT &v) const | madness::XCOperator< T, NDIM > | private |
| extra_truncation | madness::XCOperator< T, NDIM > | private |
| functionT typedef | madness::SCFOperatorBase< T, NDIM > | |
| get_semilocal_flux() const | madness::XCOperator< T, NDIM > | inline |
| get_tau(const int spin=0) const | madness::XCOperator< T, NDIM > | |
| get_vlocal() const | madness::XCOperator< T, NDIM > | inline |
| get_vtau() const | madness::XCOperator< T, NDIM > | inline |
| has_tau_args() const | madness::XCOperator< T, NDIM > | private |
| has_tau_term() const | madness::XCOperator< T, NDIM > | |
| info() const | madness::XCOperator< T, NDIM > | inlinevirtual |
| is_initialized() const | madness::XCOperator< T, NDIM > | inlineprivate |
| is_weak_form() const | madness::XCOperator< T, NDIM > | |
| ispin | madness::XCOperator< T, NDIM > | mutableprivate |
| make_derivative(const int axis) const | madness::XCOperator< T, NDIM > | private |
| make_u1_functors() const | madness::XCOperator< T, NDIM > | private |
| make_xc_potential() const | madness::XCOperator< T, NDIM > | |
| make_xc_potential_impl() const | madness::XCOperator< T, NDIM > | private |
| 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 > | |
| 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 real_function_3d &arho_reg=real_function_3d(), const real_function_3d &brho_reg=real_function_3d()) 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 |
| print_level | madness::XCOperator< T, NDIM > | private |
| SCFOperatorBase()=default | madness::SCFOperatorBase< T, NDIM > | |
| SCFOperatorBase(std::shared_ptr< MacroTaskQ > taskq) | madness::SCFOperatorBase< T, NDIM > | inline |
| semilocal_flux | madness::XCOperator< T, NDIM > | mutableprivate |
| set_extra_truncation(const double &fac) | madness::XCOperator< T, NDIM > | inline |
| set_ispin(const int i) const | madness::XCOperator< T, NDIM > | inline |
| set_print_level(const int p) | madness::XCOperator< T, NDIM > | inline |
| set_tau(const vecfuncT &amo, const Tensor< double > &aocc, const vecfuncT &bmo=vecfuncT(), const Tensor< double > &bocc=Tensor< double >(), const TauU1 u1mode=TauU1::pointwise) const | madness::XCOperator< T, NDIM > | |
| set_weak_gga(const bool flag) | madness::XCOperator< T, NDIM > | inline |
| statistics | madness::SCFOperatorBase< T, NDIM > | mutable |
| taskq | madness::SCFOperatorBase< T, NDIM > | |
| TauU1 enum name | madness::XCOperator< T, NDIM > | |
| tensorT typedef | madness::SCFOperatorBase< T, NDIM > | |
| vecfuncT typedef | madness::SCFOperatorBase< T, NDIM > | |
| vlocal | madness::XCOperator< T, NDIM > | mutableprivate |
| vtau | madness::XCOperator< T, NDIM > | mutableprivate |
| weak_form_ok | madness::XCOperator< T, NDIM > | private |
| weak_gga | madness::XCOperator< T, NDIM > | private |
| weak_xc_terms(const std::vector< Function< T, NDIM > > &vket, std::vector< Function< T, NDIM > > &mult, std::vector< std::vector< Function< T, NDIM > > > &flux) const | madness::XCOperator< 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, std::shared_ptr< XCfunctional > xc, const bool spin_polarized, int ispin, int nbeta, 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, std::string xc_data, const bool spin_polarized, const real_function_3d &arho, const real_function_3d &brho, std::shared_ptr< NuclearCorrelationFactor > ncf_, const real_function_3d &arho_reg_, const real_function_3d &brho_reg_, std::string deriv="abgv") | 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 |