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compute_group_group.h
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Thu, Nov 21, 12:22
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Sat, Nov 23, 12:22 (1 d, 16 h)
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rLAMMPS lammps
compute_group_group.h
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/* ----------------------------------------------------------------------
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 COMPUTE_GROUP_GROUP_H
#define COMPUTE_GROUP_GROUP_H
#include "compute.h"
namespace LAMMPS_NS {
class ComputeGroupGroup : public Compute {
public:
ComputeGroupGroup(class LAMMPS *, int, char **);
~ComputeGroupGroup();
void init();
void init_list(int, class NeighList *);
double compute_scalar();
void compute_vector();
private:
char *group2;
int jgroup,jgroupbit,othergroupbit;
double **cutsq;
class Pair *pair;
class NeighList *list;
void interact();
};
}
#endif
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