occ::main::EEQEspFunctor Struct Reference

#include <point_functors.h>

Public Member Functions
	EEQEspFunctor (const AtomList &a, double charge=0.0)
void	operator() (Eigen::Ref< const Mat3N > points, Eigen::Ref< Vec > dest)

Public Attributes
const AtomList &	atoms
Vec	charges

Constructor & Destructor Documentation

EEQEspFunctor()

occ::main::EEQEspFunctor::EEQEspFunctor	(	const AtomList &	a,
		double	charge = 0.0
	)

Member Function Documentation

operator()()

void occ::main::EEQEspFunctor::operator()	(	Eigen::Ref< const Mat3N >	points,
		Eigen::Ref< Vec >	dest
	)

Member Data Documentation

atoms

const AtomList& occ::main::EEQEspFunctor::atoms

charges

Vec occ::main::EEQEspFunctor::charges

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

• /home/runner/work/occ/occ/include/occ/main/point_functors.h