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improper_distance.h
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Sun, Nov 10, 01:04

improper_distance.h

/* ----------------------------------------------------------------------
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 IMPROPER_CLASS
ImproperStyle(distance,ImproperDistance)
#else
#ifndef LMP_IMPROPER_DISTANCE_H
#define LMP_IMPROPER_DISTANCE_H
#include "stdio.h"
#include "improper.h"
namespace LAMMPS_NS {
class ImproperDistance : public Improper {
public:
ImproperDistance(class LAMMPS *);
~ImproperDistance();
void compute(int, int);
void coeff(int, char **);
void write_restart(FILE *);
void read_restart(FILE *);
private:
double *k,*chi;
void allocate();
};
}
#endif
#endif

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