point_functors.h File Reference

#include <ankerl/unordered_dense.h>
#include <occ/core/atom.h>
#include <occ/core/interpolator.h>
#include <occ/core/linear_algebra.h>
#include <occ/dft/dft.h>
#include <occ/qm/hf.h>
#include <occ/qm/wavefunction.h>
#include <vector>

Include dependency graph for point_functors.h:

Classes
struct	occ::main::pfimpl::AtomInterpolator
struct	occ::main::pfimpl::InterpolatorParams
struct	occ::main::EEQEspFunctor
struct	occ::main::EspFunctor
struct	occ::main::PromolDensityFunctor
struct	occ::main::ElectronDensityFunctor
struct	occ::main::DeformationDensityFunctor
struct	occ::main::XCDensityFunctor

Namespaces
namespace	occ
namespace	occ::main
	main module for functionaliity related to single point energies etc.
namespace	occ::main::pfimpl

Typedefs
using	occ::main::pfimpl::LinearInterpolatorFloat = occ::core::Interpolator1D< float, occ::core::DomainMapping::Linear >
using	occ::main::AtomList = std::vector< occ::core::Atom >

Enumerations
enum class	occ::main::SpinConstraint { occ::main::Total , occ::main::Alpha , occ::main::Beta }