Bmd(3)

NAME
Bmd

SYNOPSIS

#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

  Bangletype* Bmd::angle

Definition at line 85 of file rwmd.h.

  Batomtype* Bmd::atom

Definition at line 83 of file rwmd.h.

  Bbondtype* Bmd::bond

Definition at line 84 of file rwmd.h.

  int Bmd::bondsteps

Definition at line 71 of file rwmd.h.

  double Bmd::cutoff

Definition at line 69 of file rwmd.h.

  double Bmd::Eangle

Definition at line 74 of file rwmd.h.

  double Bmd::Ebond

Definition at line 73 of file rwmd.h.

  double Bmd::Eelec

Definition at line 75 of file rwmd.h.

  double Bmd::Ekin

Definition at line 80 of file rwmd.h.

  double Bmd::Emap

Definition at line 79 of file rwmd.h.

  double Bmd::Epoint

Definition at line 78 of file rwmd.h.

  double Bmd::Epot

Definition at line 81 of file rwmd.h.

  double Bmd::Esep

Definition at line 77 of file rwmd.h.

  double Bmd::Evdw

Definition at line 76 of file rwmd.h.

  double Bmd::Kangle

Definition at line 60 of file rwmd.h.

  double Bmd::Kbond

Definition at line 59 of file rwmd.h.

  double Bmd::Kelec

Definition at line 61 of file rwmd.h.

  double Bmd::Kfriction

Definition at line 58 of file rwmd.h.

  double Bmd::Kmap

Definition at line 65 of file rwmd.h.

  double Bmd::Kpoint

Definition at line 64 of file rwmd.h.

  double Bmd::Ksep

Definition at line 63 of file rwmd.h.

  double Bmd::Kvdw

Definition at line 62 of file rwmd.h.

  Vector3<float> Bmd::point

Definition at line 82 of file rwmd.h.

  double Bmd::pointdecay

Definition at line 70 of file rwmd.h.

  double Bmd::sepdist

Definition at line 68 of file rwmd.h.

  double Bmd::timestep

Definition at line 57 of file rwmd.h.

  double Bmd::VdWcoeff1

Definition at line 66 of file rwmd.h.

  double Bmd::VdWcoeff2

Definition at line 67 of file rwmd.h.

  int Bmd::wrap

Definition at line 72 of file rwmd.h.

Author

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