git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4028 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp
2010-04-23 14:24:09 +00:00
parent 91c72cea03
commit 7dbb6d500e
9 changed files with 579 additions and 231 deletions

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src/fix_setforce.h Normal file
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/* ----------------------------------------------------------------------
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.
------------------------------------------------------------------------- */
#ifdef FIX_CLASS
FixStyle(setforce,FixSetForce)
#else
#ifndef LMP_FIX_SET_FORCE_H
#define LMP_FIX_SET_FORCE_H
#include "fix.h"
namespace LAMMPS_NS {
class FixSetForce : public Fix {
public:
FixSetForce(class LAMMPS *, int, char **);
~FixSetForce();
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_vector(int);
double memory_usage();
private:
double xvalue,yvalue,zvalue;
int varflag;
char *xstr,*ystr,*zstr;
int xvar,yvar,zvar,xstyle,ystyle,zstyle;
double foriginal[3],foriginal_all[3];
int force_flag;
int nlevels_respa;
int maxatom;
double **sforce;
};
}
#endif
#endif