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improper_cossq.h
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Created
Mon, Sep 30, 04:10
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1 KB
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text/x-c
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Wed, Oct 2, 04:10 (2 d)
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rLAMMPS lammps
improper_cossq.h
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/* -*- 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 IMPROPER_CLASS
ImproperStyle(cossq,ImproperCossq)
#else
#ifndef LMP_IMPROPER_COSSQ_H
#define LMP_IMPROPER_COSSQ_H
#include <stdio.h>
#include "improper.h"
namespace LAMMPS_NS {
class ImproperCossq : public Improper {
public:
ImproperCossq(class LAMMPS *);
virtual ~ImproperCossq();
virtual void compute(int, int);
void coeff(int, char **);
void write_restart(FILE *);
void read_restart(FILE *);
protected:
double *k, *chi;
void allocate();
};
}
#endif
#endif
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