functional.h File Reference

#include <fmt/core.h>
#include <memory>
#include <occ/core/linear_algebra.h>
#include <occ/dft/range_separated_parameters.h>
#include <occ/qm/spinorbital.h>
#include <string>
#include <xc.h>

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Classes
class	occ::dft::DensityFunctional
struct	occ::dft::DensityFunctional::Result
struct	occ::dft::DensityFunctional::SecondDerivatives
	First and second derivatives of the energy density (libxc layouts: unpolarized 1 column each; polarized vrho 2, vsigma 3, v2rho2 3, v2rhosigma 6, v2sigma2 6, vtau 2, v2rhotau 4, v2sigmatau 6, v2tau2 3). More...
struct	occ::dft::DensityFunctional::Params

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

Typedefs
using	occ::dft::Array
using	occ::dft::IVec
using	occ::dft::Vec

Functions
std::string	occ::dft::dfid_to_string (DensityFunctional::Identifier id)
DensityFunctional::Identifier	occ::dft::string_to_dfid (const std::string &name)