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lammps/src/ASPHERE/fix_nve_line.h

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/* -*- c++ -*- ----------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
https://www.lammps.org/, Sandia National Laboratories
The LAMMPS Developers, 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 FIX_CLASS
// clang-format off
FixStyle(nve/line,FixNVELine);
// clang-format on
#else
#ifndef LMP_FIX_NVE_LINE_H
#define LMP_FIX_NVE_LINE_H
#include "fix_nve.h"
namespace LAMMPS_NS {
class FixNVELine : public FixNVE {
public:
FixNVELine(class LAMMPS *, int, char **);
int setmask() override;
void init() override;
void initial_integrate(int) override;
void final_integrate() override;
private:
double MINUSPI, TWOPI;
class AtomVecLine *avec;
};
} // namespace LAMMPS_NS
#endif
#endif