#include <occ/core/linear_algebra.h>
#include <occ/dft/dft_method.h>
#include <occ/dft/functional.h>
#include <occ/gto/gto.h>
#include <occ/qm/spinorbital.h>

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Namespaces
namespace	occ

namespace	occ::dft
	functionality related to Kohn-Sham density functional theory

namespace	occ::dft::impl

namespace	occ::dft::kernels

Functions
template<SpinorbitalKind spinorbital_kind, int derivative_order>
void	occ::dft::impl::set_params (DensityFunctional::Params &params, const Mat &rho)

template<int derivative_order, occ::qm::SpinorbitalKind spinorbital_kind>
void	occ::dft::kernels::process_grid_block (const Mat &D, const occ::gto::GTOValues &gto_vals, Eigen::Ref< const Mat3N > points_block, const Vec &weights_block, const std::vector< DensityFunctional > &funcs, Mat &K, double &energy, double &total_density_a, double &total_density_b, double density_threshold)

Namespaces

Functions