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compute_dilatation_atom.h
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Mon, Nov 11, 01:04

compute_dilatation_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(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
/* ERROR/WARNING messages:
E: Illegal ... command
Self-explanatory. Check the input script syntax and compare to the
documentation for the command. You can use -echo screen as a
command-line option when running LAMMPS to see the offending line.
W: More than one compute dilatation/atom
Self-explanatory.
E: Compute dilatation/atom cannot be used with this pair style
Self-explanatory.
E: Compute dilatation/atom requires Peridynamic pair style
Self-explanatory.
*/

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