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Sat, Jun 8, 08:57

fix_python.h

/* -*- 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(python,FixPython)
#else
#ifndef LMP_FIX_PYTHON_H
#define LMP_FIX_PYTHON_H
#include "fix.h"
#include <Python.h>
namespace LAMMPS_NS {
class FixPython : public Fix {
public:
FixPython(class LAMMPS *, int, char **);
virtual ~FixPython() {}
int setmask();
virtual void end_of_step();
virtual void post_force(int);
private:
PyObject * pFunc;
int selected_callback;
};
}
#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.
*/

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