85 lines
1.9 KiB
C++
85 lines
1.9 KiB
C++
/* -*- 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.
|
|
------------------------------------------------------------------------- */
|
|
|
|
#ifdef FIX_CLASS
|
|
|
|
FixStyle(gravity,FixGravity)
|
|
|
|
#else
|
|
|
|
#ifndef LMP_FIX_GRAVITY_H
|
|
#define LMP_FIX_GRAVITY_H
|
|
|
|
#include "fix.h"
|
|
|
|
namespace LAMMPS_NS {
|
|
|
|
class FixGravity : public Fix {
|
|
friend class FixPour;
|
|
|
|
public:
|
|
FixGravity(class LAMMPS *, int, char **);
|
|
virtual ~FixGravity();
|
|
int setmask();
|
|
void init();
|
|
void setup(int);
|
|
virtual void post_force(int);
|
|
virtual void post_force_respa(int, int, int);
|
|
double compute_scalar();
|
|
void *extract(const char *, int &);
|
|
|
|
protected:
|
|
int style,disable;
|
|
double magnitude;
|
|
double vert,phi,theta;
|
|
double xdir,ydir,zdir;
|
|
double xgrav,ygrav,zgrav,xacc,yacc,zacc;
|
|
double degree2rad;
|
|
int ilevel_respa;
|
|
int time_origin;
|
|
double gvec[3];
|
|
|
|
int eflag;
|
|
double egrav,egrav_all;
|
|
|
|
int varflag;
|
|
int mstyle,vstyle,pstyle,tstyle,xstyle,ystyle,zstyle;
|
|
int mvar,vvar,pvar,tvar,xvar,yvar,zvar;
|
|
char *mstr,*vstr,*pstr,*tstr,*xstr,*ystr,*zstr;
|
|
|
|
void set_acceleration();
|
|
};
|
|
|
|
}
|
|
|
|
#endif
|
|
#endif
|
|
|
|
/* ERROR/WARNING messages:
|
|
|
|
E: Illegal ... command
|
|
|
|
Self-explanatory. Check the input script syntax and compare to the
|
|
documentation for the command. You can use -echo screen as a
|
|
command-line option when running LAMMPS to see the offending line.
|
|
|
|
E: Variable name for fix gravity does not exist
|
|
|
|
Self-explanatory.
|
|
|
|
E: Variable for fix gravity is invalid style
|
|
|
|
Only equal-style variables can be used.
|
|
|
|
*/
|