Page MenuHomec4science

compute_gyration.h
No OneTemporary

File Metadata

Created
Fri, Nov 8, 19:40

compute_gyration.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.
------------------------------------------------------------------------- */
#ifdef COMPUTE_CLASS
ComputeStyle(gyration,ComputeGyration)
#else
#ifndef LMP_COMPUTE_GYRATION_H
#define LMP_COMPUTE_GYRATION_H
#include "compute.h"
namespace LAMMPS_NS {
class ComputeGyration : public Compute {
public:
ComputeGyration(class LAMMPS *, int, char **);
~ComputeGyration() {}
void init();
double compute_scalar();
private:
double masstotal;
};
}
#endif
#endif

Event Timeline