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compute_meso_e_atom.h
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Mon, Nov 11, 05:17
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Wed, Nov 13, 05:17 (1 d, 23 h)
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rLAMMPS lammps
compute_meso_e_atom.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 COMPUTE_CLASS
ComputeStyle(meso_e/atom,ComputeMesoEAtom)
#else
#ifndef LMP_COMPUTE_MESO_E_ATOM_H
#define LMP_COMPUTE_MESO_E_ATOM_H
#include "compute.h"
namespace LAMMPS_NS {
class ComputeMesoEAtom : public Compute {
public:
ComputeMesoEAtom(class LAMMPS *, int, char **);
~ComputeMesoEAtom();
void init();
void compute_peratom();
double memory_usage();
private:
int nmax;
double *evector;
};
}
#endif
#endif
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