OpenMD  2.5
Molecular Dynamics in the Open
OpenMD::EAMAtomData Struct Reference

#include <EAM.hpp>

Public Attributes

CubicSplinerho
 
CubicSplineF
 
CubicSplineZ
 
RealType rcut
 
int nValence
 
bool isFluctuatingCharge
 

Detailed Description

Definition at line 55 of file EAM.hpp.

Member Data Documentation

◆ F

◆ isFluctuatingCharge

bool OpenMD::EAMAtomData::isFluctuatingCharge

Definition at line 61 of file EAM.hpp.

Referenced by OpenMD::EAM::addType(), OpenMD::EAM::calcDensity(), and OpenMD::EAM::calcForce().

◆ nValence

int OpenMD::EAMAtomData::nValence

Definition at line 60 of file EAM.hpp.

Referenced by OpenMD::EAM::addType(), OpenMD::EAM::calcDensity(), and OpenMD::EAM::calcForce().

◆ rcut

RealType OpenMD::EAMAtomData::rcut

◆ rho

◆ Z

CubicSpline* OpenMD::EAMAtomData::Z

Definition at line 58 of file EAM.hpp.

Referenced by OpenMD::EAM::addType().


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