OpenMD::FluctuatingChargeAtomData Struct Reference

Public Attributes
RealType	hardness
RealType	electronegativity
int	slaterN
RealType	slaterZeta
RealType	curvature
DoublePolynomial	vself_

Detailed Description

Definition at line 54 of file FluctuatingChargeForces.hpp.

Member Data Documentation

curvature

RealType OpenMD::FluctuatingChargeAtomData::curvature

Definition at line 59 of file FluctuatingChargeForces.hpp.

electronegativity

RealType OpenMD::FluctuatingChargeAtomData::electronegativity

Definition at line 56 of file FluctuatingChargeForces.hpp.

hardness

RealType OpenMD::FluctuatingChargeAtomData::hardness

Definition at line 55 of file FluctuatingChargeForces.hpp.

slaterN

int OpenMD::FluctuatingChargeAtomData::slaterN

Definition at line 57 of file FluctuatingChargeForces.hpp.

slaterZeta

RealType OpenMD::FluctuatingChargeAtomData::slaterZeta

Definition at line 58 of file FluctuatingChargeForces.hpp.

vself_

DoublePolynomial OpenMD::FluctuatingChargeAtomData::vself_

Definition at line 60 of file FluctuatingChargeForces.hpp.

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

• flucq/FluctuatingChargeForces.hpp