#include <CatomPack.h>

Public Member Functions
void	resize (const unsigned &)

void	setIndex (const unsigned &, const unsigned &)

void	setDerivative (const unsigned &, const Tensor &)

unsigned	getNumberOfAtomsWithDerivatives () const

unsigned	getIndex (const unsigned &) const

double	getDerivative (const unsigned &, const unsigned &, const Vector &) const

Member Function Documentation

double PLMD::multicolvar::CatomPack::getDerivative	(	const unsigned &	iatom,
		const unsigned &	jcomp,
		const Vector &	df
	)		const

inline

unsigned PLMD::multicolvar::CatomPack::getIndex ( const unsigned & jind ) const

inline

unsigned PLMD::multicolvar::CatomPack::getNumberOfAtomsWithDerivatives ( ) const

inline

void PLMD::multicolvar::CatomPack::resize ( const unsigned & size )

void PLMD::multicolvar::CatomPack::setDerivative	(	const unsigned &	jind,
		const Tensor &	der
	)

inline

void PLMD::multicolvar::CatomPack::setIndex	(	const unsigned &	jind,
		const unsigned &	ind
	)

inline

Member Data Documentation

std::vector<Tensor> PLMD::multicolvar::CatomPack::derivs

private

std::vector<unsigned> PLMD::multicolvar::CatomPack::indices

private

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