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compute_damage_atom.h
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Fri, Nov 8, 07:56
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rLAMMPS lammps
compute_damage_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
(
damage
/
atom
,
ComputeDamageAtom
)
#else
#ifndef LMP_COMPUTE_DAMAGE_ATOM_H
#define LMP_COMPUTE_DAMAGE_ATOM_H
#include "compute.h"
namespace
LAMMPS_NS
{
class
ComputeDamageAtom
:
public
Compute
{
public:
ComputeDamageAtom
(
class
LAMMPS
*
,
int
,
char
**
);
~
ComputeDamageAtom
();
void
init
();
void
compute_peratom
();
double
memory_usage
();
private:
int
nmax
;
double
*
damage
;
int
ifix_peri
;
};
}
#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 damage/atom
It is not efficient to use compute ke/atom more than once.
E: Compute damage/atom requires peridynamic potential
Damage is a Peridynamic-specific metric. It requires you
to be running a Peridynamics simulation.
*/
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