OpenMD::EAMAtomData Struct Reference

Public Attributes
CubicSplinePtr	rho
CubicSplinePtr	F
CubicSplinePtr	Z
CubicSplinePtr	phiCC
CubicSplinePtr	phiCV
RealType	rcut
RealType	nValence
RealType	nMobile
bool	isFluctuatingCharge

Detailed Description

Definition at line 59 of file EAM.hpp.

Member Data Documentation

F

CubicSplinePtr OpenMD::EAMAtomData::F

Definition at line 61 of file EAM.hpp.

isFluctuatingCharge

bool OpenMD::EAMAtomData::isFluctuatingCharge

Definition at line 68 of file EAM.hpp.

nMobile

RealType OpenMD::EAMAtomData::nMobile

Definition at line 67 of file EAM.hpp.

nValence

RealType OpenMD::EAMAtomData::nValence

Definition at line 66 of file EAM.hpp.

phiCC

CubicSplinePtr OpenMD::EAMAtomData::phiCC

Definition at line 63 of file EAM.hpp.

phiCV

CubicSplinePtr OpenMD::EAMAtomData::phiCV

Definition at line 64 of file EAM.hpp.

rcut

RealType OpenMD::EAMAtomData::rcut

Definition at line 65 of file EAM.hpp.

rho

CubicSplinePtr OpenMD::EAMAtomData::rho

Definition at line 60 of file EAM.hpp.

Z

CubicSplinePtr OpenMD::EAMAtomData::Z

Definition at line 62 of file EAM.hpp.

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

• nonbonded/EAM.hpp