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body.h
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Created
Wed, Sep 4, 00:54
Size
2 KB
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text/x-c
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Fri, Sep 6, 00:54 (1 d, 22 h)
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rLAMMPS lammps
body.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.
------------------------------------------------------------------------- */
#ifndef LMP_BODY_H
#define LMP_BODY_H
#include "pointers.h"
#include "atom_vec_body.h"
#include "my_pool_chunk.h"
namespace
LAMMPS_NS
{
class
Body
:
protected
Pointers
{
public:
MyPoolChunk
<
int
>
*
icp
;
MyPoolChunk
<
double
>
*
dcp
;
char
*
style
;
int
size_forward
;
// max extra values packed for comm
int
size_border
;
// max extra values packed for border comm
AtomVecBody
*
avec
;
// ptr to class that stores body bonus info
Body
(
class
LAMMPS
*
,
int
,
char
**
);
virtual
~
Body
();
// methods implemented by child classes
virtual
int
pack_comm_body
(
struct
AtomVecBody
::
Bonus
*
,
double
*
)
{
return
0
;}
virtual
int
unpack_comm_body
(
struct
AtomVecBody
::
Bonus
*
,
double
*
)
{
return
0
;}
virtual
int
pack_border_body
(
struct
AtomVecBody
::
Bonus
*
,
double
*
)
{
return
0
;}
virtual
int
unpack_border_body
(
struct
AtomVecBody
::
Bonus
*
,
double
*
)
{
return
0
;}
virtual
void
data_body
(
int
,
int
,
int
,
int
*
,
double
*
)
=
0
;
virtual
int
noutrow
(
int
)
=
0
;
virtual
int
noutcol
()
=
0
;
virtual
void
output
(
int
,
int
,
double
*
)
=
0
;
virtual
int
image
(
int
,
double
,
double
,
int
*&
,
double
**&
)
=
0
;
virtual
double
radius_body
(
int
,
int
,
int
*
,
double
*
)
{
return
0.0
;}
};
}
#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.
*/
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