| Bsoft 2.0.5 Bernard's software package

Public Attributes | List of all members
Bmd Struct Reference

`#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
Bangletype * | angle

## Detailed Description

Definition at line 56 of file rwmd.h.

## Member Data Documentation

## ◆ angle

Bangletype* Bmd::angle

Definition at line 85 of file rwmd.h.

## ◆ atom

Batomtype* Bmd::atom

Definition at line 83 of file rwmd.h.

## ◆ bond

Bbondtype* Bmd::bond

Definition at line 84 of file rwmd.h.

## ◆ bondsteps

int Bmd::bondsteps

Definition at line 71 of file rwmd.h.

## ◆ cutoff

double Bmd::cutoff

Definition at line 69 of file rwmd.h.

## ◆ Eangle

double Bmd::Eangle

Definition at line 74 of file rwmd.h.

## ◆ Ebond

double Bmd::Ebond

Definition at line 73 of file rwmd.h.

## ◆ Eelec

double Bmd::Eelec

Definition at line 75 of file rwmd.h.

## ◆ Ekin

double Bmd::Ekin

Definition at line 80 of file rwmd.h.

## ◆ Emap

double Bmd::Emap

Definition at line 79 of file rwmd.h.

## ◆ Epoint

double Bmd::Epoint

Definition at line 78 of file rwmd.h.

## ◆ Epot

double Bmd::Epot

Definition at line 81 of file rwmd.h.

## ◆ Esep

double Bmd::Esep

Definition at line 77 of file rwmd.h.

## ◆ Evdw

double Bmd::Evdw

Definition at line 76 of file rwmd.h.

## ◆ Kangle

double Bmd::Kangle

Definition at line 60 of file rwmd.h.

## ◆ Kbond

double Bmd::Kbond

Definition at line 59 of file rwmd.h.

## ◆ Kelec

double Bmd::Kelec

Definition at line 61 of file rwmd.h.

## ◆ Kfriction

double Bmd::Kfriction

Definition at line 58 of file rwmd.h.

## ◆ Kmap

double Bmd::Kmap

Definition at line 65 of file rwmd.h.

## ◆ Kpoint

double Bmd::Kpoint

Definition at line 64 of file rwmd.h.

## ◆ Ksep

double Bmd::Ksep

Definition at line 63 of file rwmd.h.

## ◆ Kvdw

double Bmd::Kvdw

Definition at line 62 of file rwmd.h.

## ◆ point

Vector3<float> Bmd::point

Definition at line 82 of file rwmd.h.

## ◆ pointdecay

double Bmd::pointdecay

Definition at line 70 of file rwmd.h.

## ◆ sepdist

double Bmd::sepdist

Definition at line 68 of file rwmd.h.

## ◆ timestep

double Bmd::timestep

Definition at line 57 of file rwmd.h.

## ◆ VdWcoeff1

double Bmd::VdWcoeff1

Definition at line 66 of file rwmd.h.

## ◆ VdWcoeff2

double Bmd::VdWcoeff2

Definition at line 67 of file rwmd.h.

## ◆ wrap

int Bmd::wrap

Definition at line 72 of file rwmd.h.

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

- /Users/bernard/b20/bsoft/include/rwmd.h