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compute_displace_atom.h
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Fri, Jul 5, 02:50
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Sun, Jul 7, 02:50 (1 d, 23 h)
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rLAMMPS lammps
compute_displace_atom.h
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/* ----------------------------------------------------------------------
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(displace/atom,ComputeDisplaceAtom)
#else
#ifndef LMP_COMPUTE_DISPLACE_ATOM_H
#define LMP_COMPUTE_DISPLACE_ATOM_H
#include "compute.h"
namespace LAMMPS_NS {
class ComputeDisplaceAtom : public Compute {
public:
ComputeDisplaceAtom(class LAMMPS *, int, char **);
~ComputeDisplaceAtom();
void init();
void compute_peratom();
double memory_usage();
private:
int nmax;
double **displace;
char *id_fix;
class Fix *fix;
};
}
#endif
#endif
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