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

#include <FluctuatingChargeForces.hpp>

Public Attributes

bool hasMultipleMinima
 
RealType hardness
 
RealType electronegativity
 
int slaterN
 
RealType slaterZeta
 
RealType curvature
 
RealType coupling
 
vector< pair< RealType, RealType > > diabaticStates
 

Detailed Description

Definition at line 51 of file FluctuatingChargeForces.hpp.

Member Data Documentation

◆ coupling

RealType OpenMD::FluctuatingChargeAtomData::coupling

◆ curvature

RealType OpenMD::FluctuatingChargeAtomData::curvature

◆ diabaticStates

vector<pair<RealType, RealType> > OpenMD::FluctuatingChargeAtomData::diabaticStates

◆ electronegativity

RealType OpenMD::FluctuatingChargeAtomData::electronegativity

◆ hardness

RealType OpenMD::FluctuatingChargeAtomData::hardness

◆ hasMultipleMinima

bool OpenMD::FluctuatingChargeAtomData::hasMultipleMinima

◆ slaterN

int OpenMD::FluctuatingChargeAtomData::slaterN

◆ slaterZeta

RealType OpenMD::FluctuatingChargeAtomData::slaterZeta

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