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q3::XC_LibXC Member List

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 overrideq3::XC_LibXCinlinevirtual
compute_exchange_correlation_kernel(const std::vector< Real > &density, std::vector< Real > &exchange_correlation_kernel) constq3::XCFunctionalinlinevirtual
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) constq3::XCFunctionalinlinevirtual
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 overrideq3::XC_LibXCinlinevirtual
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 overrideq3::XC_LibXCinlinevirtual
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 overrideq3::XC_LibXCinlinevirtual
name() const overrideq3::XC_LibXCinlinevirtual
number_of_spin_components() const overrideq3::XC_LibXCinlinevirtual
requires_density_gradient() const overrideq3::XC_LibXCinlinevirtual
XC_LibXC(int exchange_id, int correlation_id, int number_of_spin_components=1, std::string functional_identifier="")q3::XC_LibXCinline
~XC_LibXC() overrideq3::XC_LibXCinline
~XCFunctional()=defaultq3::XCFunctionalvirtual