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compute_inertia_chunk.h
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rLAMMPS lammps
compute_inertia_chunk.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
(
inertia
/
chunk
,
ComputeInertiaChunk
)
#else
#ifndef LMP_COMPUTE_INERTIA_CHUNK_H
#define LMP_COMPUTE_INERTIA_CHUNK_H
#include "compute.h"
namespace
LAMMPS_NS
{
class
ComputeInertiaChunk
:
public
Compute
{
public:
ComputeInertiaChunk
(
class
LAMMPS
*
,
int
,
char
**
);
~
ComputeInertiaChunk
();
void
init
();
void
compute_array
();
void
lock_enable
();
void
lock_disable
();
int
lock_length
();
void
lock
(
class
Fix
*
,
bigint
,
bigint
);
void
unlock
(
class
Fix
*
);
double
memory_usage
();
private:
int
nchunk
,
maxchunk
;
char
*
idchunk
;
class
ComputeChunkAtom
*
cchunk
;
double
*
massproc
,
*
masstotal
;
double
**
com
,
**
comall
;
double
**
inertia
,
**
inertiaall
;
void
allocate
();
};
}
#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.
E: Chunk/atom compute does not exist for compute inertia/chunk
Self-explanatory.
E: Compute inertia/chunk does not use chunk/atom compute
The style of the specified compute is not chunk/atom.
*/
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