occ::qm::GradientEvaluator< Proc > Class Template Reference

#include <gradients.h>

Public Member Functions
	GradientEvaluator (Proc &p)
Mat3N	nuclear_repulsion () const
Mat3N	electronic (const MolecularOrbitals &mo) const
const Mat3N &	operator() (const MolecularOrbitals &mo)

Constructor & Destructor Documentation

GradientEvaluator()

template<typename Proc >

occ::qm::GradientEvaluator< Proc >::GradientEvaluator ( Proc &  p )

inlineexplicit

Member Function Documentation

electronic()

template<typename Proc >

Mat3N occ::qm::GradientEvaluator< Proc >::electronic ( const MolecularOrbitals &  mo ) const

inline

nuclear_repulsion()

template<typename Proc >

Mat3N occ::qm::GradientEvaluator< Proc >::nuclear_repulsion ( ) const

inline

operator()()

template<typename Proc >

const Mat3N & occ::qm::GradientEvaluator< Proc >::operator() ( const MolecularOrbitals &  mo )

inline

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The documentation for this class was generated from the following file:

• /home/runner/work/occ/occ/include/occ/qm/gradients.h