This is the complete list of members for q3::XC_LibXC, including all inherited members.
| compute(const std::vector< Real > &density, std::vector< Real > &xc_potential, std::vector< Real > &xc_energy_density) const override | q3::XC_LibXC | inlinevirtual |
| compute_exchange_correlation_kernel(const std::vector< Real > &density, std::vector< Real > &exchange_correlation_kernel) const | q3::XCFunctional | inlinevirtual |
| compute_fxc_spin(const std::vector< Real > &density_up, const std::vector< Real > &density_down, std::vector< Real > &fxc_uu, std::vector< Real > &fxc_ud, std::vector< Real > &fxc_dd) const | q3::XCFunctional | inlinevirtual |
| compute_gradient_corrected(const std::vector< Real > &density, const std::vector< Real > &gradient_density_squared, std::vector< Real > &xc_potential, std::vector< Real > &gradient_correction_density, std::vector< Real > &xc_energy_density) const override | q3::XC_LibXC | inlinevirtual |
| compute_gradient_corrected_spin(const std::vector< Real > &density_up, const std::vector< Real > &density_down, const std::vector< Real > &gradient_density_squared_up_up, const std::vector< Real > &gradient_density_squared_up_down, const std::vector< Real > &gradient_density_squared_down_down, std::vector< Real > &xc_potential_up, std::vector< Real > &xc_potential_down, std::vector< Real > &gradient_correction_up_up, std::vector< Real > &gradient_correction_up_down, std::vector< Real > &gradient_correction_down_down, std::vector< Real > &xc_energy_density) const override | q3::XC_LibXC | inlinevirtual |
| compute_spin(const std::vector< Real > &density_up, const std::vector< Real > &density_down, std::vector< Real > &xc_potential_up, std::vector< Real > &xc_potential_down, std::vector< Real > &xc_energy_density) const override | q3::XC_LibXC | inlinevirtual |
| name() const override | q3::XC_LibXC | inlinevirtual |
| number_of_spin_components() const override | q3::XC_LibXC | inlinevirtual |
| requires_density_gradient() const override | q3::XC_LibXC | inlinevirtual |
| XC_LibXC(int exchange_id, int correlation_id, int number_of_spin_components=1, std::string functional_identifier="") | q3::XC_LibXC | inline |
| ~XC_LibXC() override | q3::XC_LibXC | inline |
| ~XCFunctional()=default | q3::XCFunctional | virtual |