f8891a4451
This is to avoid confusion to what LAMMPS considers to be an integrator like Verlet and RESPA.
68 lines
1.8 KiB
C++
68 lines
1.8 KiB
C++
/* -*- c++ -*- ----------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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http://lammps.sandia.gov, Sandia National Laboratories
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Steve Plimpton, sjplimp@sandia.gov
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Copyright (2003) Sandia Corporation. Under the terms of Contract
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DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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certain rights in this software. This software is distributed under
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the GNU General Public License.
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See the README file in the top-level LAMMPS directory.
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Pair zero is a dummy pair interaction useful for requiring a
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force cutoff distance in the absense of pair-interactions or
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with hybrid/overlay if a larger force cutoff distance is required.
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This can be used in conjunction with bond/create to create bonds
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that are longer than the cutoff of a given force field, or to
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calculate radial distribution functions for models without
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pair interactions.
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------------------------------------------------------------------------- */
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#ifdef FIX_CLASS
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FixStyle(python/move,FixPythonMove)
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#else
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#ifndef LMP_FIX_PYTHON_MOVE_H
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#define LMP_FIX_PYTHON_MOVE_H
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#include "fix.h"
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namespace LAMMPS_NS {
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class FixPythonMove : public Fix {
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public:
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FixPythonMove(LAMMPS *lmp, int narg, char **arg);
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virtual ~FixPythonMove();
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int setmask();
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virtual void init();
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virtual void initial_integrate(int);
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virtual void final_integrate();
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virtual void initial_integrate_respa(int, int, int);
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virtual void final_integrate_respa(int, int);
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virtual void reset_dt();
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protected:
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void * py_integrator;
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};
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}
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#endif
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#endif
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/* ERROR/WARNING messages:
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E: Illegal ... command
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Self-explanatory. Check the input script syntax and compare to the
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documentation for the command. You can use -echo screen as a
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command-line option when running LAMMPS to see the offending line.
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*/
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