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Tue, Oct 8, 00:05

compute_vsum.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.
------------------------------------------------------------------------- */
// Compute the sum of the squared velocities, without usual mass terms
// for the kinetic energy. This is used for the MSST (Larry Fried).
#ifdef COMPUTE_CLASS
ComputeStyle(vsum,ComputeVsum)
#else
#ifndef COMPUTE_VSUM_H
#define COMPUTE_VSUM_H
#include "compute.h"
namespace LAMMPS_NS {
class ComputeVsum : public Compute {
public:
ComputeVsum(class LAMMPS *, int, char **);
~ComputeVsum();
void init();
double compute_scalar();
};
}
#endif
#endif

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