Page MenuHomec4science

compute_coord_atom.h
No OneTemporary

File Metadata

Created
Mon, Jun 10, 03:25

compute_coord_atom.h

/* ----------------------------------------------------------------------
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_COORD_ATOM_H
#define COMPUTE_COORD_ATOM_H
#include "compute.h"
namespace LAMMPS_NS {
class ComputeCoordAtom : public Compute {
public:
ComputeCoordAtom(class LAMMPS *, int, char **);
~ComputeCoordAtom();
void init();
void init_list(int, class NeighList *);
void compute_peratom();
int memory_usage();
private:
int nmax;
double cutoff;
double *coordination;
class NeighList *list;
};
}
#endif

Event Timeline