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compute_dilatation_atom.h
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Thu, Oct 3, 20:19

compute_dilatation_atom.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 COMPUTE_CLASS
ComputeStyle(dilatation/atom,ComputeDilatationAtom)
#else
#ifndef LMP_COMPUTE_DILATATION_ATOM_H
#define LMP_COMPUTE_DILATATION_ATOM_H
#include "compute.h"
namespace LAMMPS_NS {
class ComputeDilatationAtom : public Compute {
friend class PairPeriPMB;
friend class PairPeriLPS;
friend class PairPeriVES;
friend class PairPeriEPS;
public:
ComputeDilatationAtom(class LAMMPS *, int, char **);
~ComputeDilatationAtom();
void init();
void compute_peratom();
double memory_usage();
private:
int nmax;
double *dilatation;
int isPMB,isLPS,isVES,isEPS;
};
}
#endif
#endif

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