#include <rwmd.h>

Public Attributes
double	timestep

double	Kfriction

double	Kbond

double	Kangle

double	Kelec

double	Kvdw

double	Ksep

double	Kpoint

double	Kmap

double	VdWcoeff1

double	VdWcoeff2

double	sepdist

double	cutoff

double	pointdecay

int	bondsteps

int	wrap

double	Ebond

double	Eangle

double	Eelec

double	Evdw

double	Esep

double	Epoint

double	Emap

double	Ekin

double	Epot

Vector3< float >	point

Batomtype *	atom

Bbondtype *	bond

Member Data Documentation

◆ atom

Batomtype* Bmd::atom

◆ bond

Bbondtype* Bmd::bond

◆ bondsteps

int Bmd::bondsteps

◆ cutoff

double Bmd::cutoff

◆ Eangle

double Bmd::Eangle

◆ Ebond

double Bmd::Ebond

◆ Eelec

double Bmd::Eelec

◆ Ekin

double Bmd::Ekin

◆ Emap

double Bmd::Emap

◆ Epoint

double Bmd::Epoint

◆ Epot

double Bmd::Epot

◆ Esep

double Bmd::Esep

◆ Evdw

double Bmd::Evdw

◆ Kangle

double Bmd::Kangle

◆ Kbond

double Bmd::Kbond

◆ Kelec

double Bmd::Kelec

◆ Kfriction

double Bmd::Kfriction

◆ Kmap

double Bmd::Kmap

◆ Kpoint

double Bmd::Kpoint

◆ Ksep

double Bmd::Ksep

◆ Kvdw

double Bmd::Kvdw

◆ point

Vector3<float> Bmd::point

◆ pointdecay

double Bmd::pointdecay

◆ sepdist

double Bmd::sepdist

◆ timestep

double Bmd::timestep

◆ VdWcoeff1

double Bmd::VdWcoeff1

◆ VdWcoeff2

double Bmd::VdWcoeff2

◆ wrap

int Bmd::wrap

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

/Users/heymannb/b20/bsoft/include/rwmd.h

Public Attributes