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/cdiis.h>
#include <occ/qm/ediis.h>
#include <occ/qm/expectation.h>
#include <occ/qm/guess_density.h>
#include <occ/qm/mo.h>
#include <occ/qm/opmatrix.h>
#include <occ/qm/scf_convergence_settings.h>
#include <occ/qm/scf_method.h>
#include <occ/qm/shell.h>
#include <occ/qm/spinorbital.h>
#include <occ/qm/wavefunction.h>
#include <occ/qm/scf_impl.h>

Include dependency graph for scf.h:

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

Variables
constexpr auto	occ::qm::OCC_MINIMAL_BASIS = "sto-3g"