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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1460 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2008-02-04 15:51:23 +00:00
parent 66f8e279e7
commit 271ce0268e
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src/compute_temp_com.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_TEMP_COM_H
#define COMPUTE_TEMP_COM_H
#include "compute.h"
namespace LAMMPS_NS {
class ComputeTempCoM : public Compute {
public:
ComputeTempCoM(class LAMMPS *, int, char **);
~ComputeTempCoM();
void init();
double compute_scalar();
void compute_vector();
int pack_comm(int, int *, double *, int, int *);
void unpack_comm(int, int, double *);
private:
int fix_dof;
double tfactor;
double dof1;
double tfactor1;
void recount();
};
}
#endif