66 lines
1.6 KiB
C++
66 lines
1.6 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.
|
|
------------------------------------------------------------------------- */
|
|
|
|
#ifdef FIX_CLASS
|
|
|
|
FixStyle(external,FixExternal)
|
|
|
|
#else
|
|
|
|
#ifndef LMP_FIX_EXTERNAL_H
|
|
#define LMP_FIX_EXTERNAL_H
|
|
|
|
#include "fix.h"
|
|
|
|
namespace LAMMPS_NS {
|
|
|
|
class FixExternal : public Fix {
|
|
public:
|
|
FixExternal(class LAMMPS *, int, char **);
|
|
~FixExternal();
|
|
int setmask();
|
|
void init();
|
|
void setup(int);
|
|
void min_setup(int);
|
|
void post_force(int);
|
|
void min_post_force(int);
|
|
|
|
typedef void (*FnPtr)(void *, int, int, int *, double **, double **);
|
|
void set_callback(FnPtr, void *);
|
|
|
|
private:
|
|
FnPtr callback;
|
|
void *ptr_caller;
|
|
int nmax;
|
|
double **fexternal;
|
|
};
|
|
|
|
}
|
|
|
|
#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: Fix external callback function not set
|
|
|
|
This must be done by an external program in order to use this fix.
|
|
|
|
*/
|