gradients.h File Reference

#include <occ/core/element.h>
#include <occ/core/log.h>
#include <occ/core/timings.h>
#include <occ/qm/expectation.h>
#include <occ/qm/mo.h>

Include dependency graph for gradients.h:

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Classes
class	occ::qm::GradientEvaluator< Proc >

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

Functions
double	occ::qm::impl::accumulate1 (SpinorbitalKind sk, int r, Mat op, Mat D)
double	occ::qm::impl::accumulate2 (SpinorbitalKind sk, int r, Mat op, Mat D)