scf.h File Reference

#include <occ/core/conditioning_orthogonalizer.h>
#include <occ/core/energy_components.h>
#include <occ/core/linear_algebra.h>
#include <occ/core/log.h>
#include <occ/core/timings.h>
#include <occ/core/units.h>
#include <occ/core/util.h>
#include <occ/qm/convergence_accelerator.h>
#include <occ/qm/expectation.h>
#include <occ/qm/external_potential.h>
#include <occ/qm/initial_guess.h>
#include <occ/qm/mo.h>
#include <occ/qm/opmatrix.h>
#include <occ/qm/orthogonalizer.h>
#include <occ/qm/scf_convergence_settings.h>
#include <occ/qm/scf_method.h>
#include <occ/gto/shell.h>
#include <occ/qm/spinorbital.h>
#include <occ/qm/wavefunction.h>
#include <occ/qm/scf_impl.h>

Include dependency graph for scf.h:

This graph shows which files directly or indirectly include this file:

Classes
struct	occ::qm::SCFContext
struct	occ::qm::SCF< Procedure >

Namespaces
namespace	occ
namespace	occ::qm
	quantum mechanics/quantum chemistry functionality including Hartree-Fock and more

Functions
template<SpinorbitalKind kind, typename TA>
TA::Scalar	occ::qm::expectation (const TA &left, const TA &right)
template<typename T>
constexpr bool	occ::qm::is_odd (T a)