Rename fix python/integrate to python/move

This is to avoid confusion to what LAMMPS considers to be an
integrator like Verlet and RESPA.
This commit is contained in:
Richard Berger
2017-12-02 01:04:46 -05:00
parent 51688b2504
commit f8891a4451
7 changed files with 30 additions and 29 deletions

View File

@ -0,0 +1,67 @@
/* -*- 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.
Pair zero is a dummy pair interaction useful for requiring a
force cutoff distance in the absense of pair-interactions or
with hybrid/overlay if a larger force cutoff distance is required.
This can be used in conjunction with bond/create to create bonds
that are longer than the cutoff of a given force field, or to
calculate radial distribution functions for models without
pair interactions.
------------------------------------------------------------------------- */
#ifdef FIX_CLASS
FixStyle(python/move,FixPythonMove)
#else
#ifndef LMP_FIX_PYTHON_MOVE_H
#define LMP_FIX_PYTHON_MOVE_H
#include "fix.h"
namespace LAMMPS_NS {
class FixPythonMove : public Fix {
public:
FixPythonMove(LAMMPS *lmp, int narg, char **arg);
virtual ~FixPythonMove();
int setmask();
virtual void init();
virtual void initial_integrate(int);
virtual void final_integrate();
virtual void initial_integrate_respa(int, int, int);
virtual void final_integrate_respa(int, int);
virtual void reset_dt();
protected:
void * py_integrator;
};
}
#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.
*/