hessians.h File Reference

#include <chrono>
#include <occ/core/element.h>
#include <occ/core/log.h>
#include <occ/core/timings.h>
#include <occ/qm/cphf.h>
#include <occ/qm/gradients.h>
#include <occ/qm/mo.h>
#include <occ/qm/scf.h>
#include <occ/qm/scf_convergence_settings.h>
#include <occ/gto/shell.h>
#include <occ/qm/wavefunction.h>

Include dependency graph for hessians.h:

Classes
class	occ::qm::HessianEvaluator< Proc >
	Evaluates molecular Hessian matrices (second derivatives of energy). More...

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

Concepts
concept	occ::qm::AnalyticHessianProcedure
	A procedure that provides every term the analytic Hessian needs.

Typedefs
using	occ::qm::HessianMatrix = Mat