forked from lijiext/lammps
54 lines
1.3 KiB
C++
54 lines
1.3 KiB
C++
/* ----------------------------------------------------------------------
|
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
|
http://lammps.sandia.gov, Sandia National Laboratories
|
|
Steve Plimpton, sjplimp@sandia.gov
|
|
|
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
|
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
|
|
certain rights in this software. This software is distributed under
|
|
the GNU General Public License.
|
|
|
|
See the README file in the top-level LAMMPS directory.
|
|
------------------------------------------------------------------------- */
|
|
|
|
#ifndef FIX_SPRING_H
|
|
#define FIX_SPRING_H
|
|
|
|
#include "fix.h"
|
|
|
|
namespace LAMMPS_NS {
|
|
|
|
class FixSpring : public Fix {
|
|
public:
|
|
FixSpring(class LAMMPS *, int, char **);
|
|
~FixSpring();
|
|
int setmask();
|
|
void init();
|
|
void setup(int);
|
|
void min_setup(int);
|
|
void post_force(int);
|
|
void post_force_respa(int, int, int);
|
|
void min_post_force(int);
|
|
double compute_scalar();
|
|
double compute_vector(int);
|
|
|
|
private:
|
|
double xc,yc,zc,r0;
|
|
double k_spring;
|
|
int xflag,yflag,zflag;
|
|
int styleflag;
|
|
char *group2;
|
|
int igroup2,group2bit;
|
|
double masstotal,masstotal2;
|
|
int nlevels_respa;
|
|
double espring,ftotal[4];
|
|
int force_flag;
|
|
|
|
void spring_tether();
|
|
void spring_couple();
|
|
};
|
|
|
|
}
|
|
|
|
#endif
|