BALL::MMFF94NonBonded::NonBondedPairData Struct Reference

#include <BALL/MOLMEC/MMFF94/MMFF94NonBonded.h>

List of all members.

Public Member Functions
	NonBondedPairData ()
Public Attributes
double	eij
double	rij
double	rij_7
double	vdw_energy
bool	is_1_4
double	qi
double	qj
double	es_energy

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Constructor & Destructor Documentation

BALL::MMFF94NonBonded::NonBondedPairData::NonBondedPairData

(

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Member Data Documentation

double BALL::MMFF94NonBonded::NonBondedPairData::eij

double BALL::MMFF94NonBonded::NonBondedPairData::es_energy

bool BALL::MMFF94NonBonded::NonBondedPairData::is_1_4

double BALL::MMFF94NonBonded::NonBondedPairData::qi

double BALL::MMFF94NonBonded::NonBondedPairData::qj

double BALL::MMFF94NonBonded::NonBondedPairData::rij

double BALL::MMFF94NonBonded::NonBondedPairData::rij_7

double BALL::MMFF94NonBonded::NonBondedPairData::vdw_energy