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body.h
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Sun, Jun 2, 01:09

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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