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

#include <EAMAdapter.hpp>

Public Attributes

int atomicNumber
RealType atomicMass
int nrho
RealType drho
int nr
RealType dr
RealType rcut
std::vector< RealType > Z
std::vector< RealType > rho
std::vector< RealType > F

Detailed Description

Definition at line 71 of file EAMAdapter.hpp.

Member Data Documentation

◆ atomicMass

RealType OpenMD::FuncflParameters::atomicMass

Definition at line 74 of file EAMAdapter.hpp.

◆ atomicNumber

int OpenMD::FuncflParameters::atomicNumber

Definition at line 73 of file EAMAdapter.hpp.

◆ dr

RealType OpenMD::FuncflParameters::dr

◆ drho

RealType OpenMD::FuncflParameters::drho

◆ F

std::vector<RealType> OpenMD::FuncflParameters::F

◆ nr

◆ nrho

int OpenMD::FuncflParameters::nrho

◆ rcut

RealType OpenMD::FuncflParameters::rcut

Definition at line 79 of file EAMAdapter.hpp.

Referenced by OpenMD::EAMAdapter::getRcut(), and OpenMD::EAMAdapter::makeFuncfl().

◆ rho

std::vector<RealType> OpenMD::FuncflParameters::rho

◆ Z

std::vector<RealType> OpenMD::FuncflParameters::Z

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