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lammps/src/compute_erotate_sphere.h
2023-03-17 11:49:42 -06:00

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/* -*- c++ -*- ----------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
https://www.lammps.org/, Sandia National Laboratories
LAMMPS development team: developers@lammps.org
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
// clang-format off
ComputeStyle(erotate/sphere,ComputeERotateSphere);
// clang-format on
#else
#ifndef LMP_COMPUTE_EROTATE_SPHERE_H
#define LMP_COMPUTE_EROTATE_SPHERE_H
#include "compute.h"
namespace LAMMPS_NS {
class ComputeERotateSphere : public Compute {
public:
ComputeERotateSphere(class LAMMPS *, int, char **);
void init() override;
double compute_scalar() override;
protected:
double pfactor;
};
} // namespace LAMMPS_NS
#endif
#endif