62 lines
1.5 KiB
C++
62 lines
1.5 KiB
C++
/* -*- c++ -*- ----------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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https://www.lammps.org/, Sandia National Laboratories
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Steve Plimpton, sjplimp@sandia.gov
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Copyright (2003) Sandia Corporation. Under the terms of Contract
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DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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certain rights in this software. This software is distributed under
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the GNU General Public License.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#ifdef INTEGRATE_CLASS
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// clang-format off
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IntegrateStyle(verlet,Verlet);
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// clang-format on
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#else
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#ifndef LMP_VERLET_H
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#define LMP_VERLET_H
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#include "integrate.h"
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namespace LAMMPS_NS {
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class Verlet : public Integrate {
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public:
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Verlet(class LAMMPS *, int, char **);
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void init() override;
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void setup(int flag) override;
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void setup_minimal(int) override;
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void run(int) override;
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void cleanup() override;
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protected:
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int triclinic; // 0 if domain is orthog, 1 if triclinic
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int torqueflag, extraflag;
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virtual void force_clear();
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};
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} // namespace LAMMPS_NS
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#endif
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#endif
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/* ERROR/WARNING messages:
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W: No fixes defined, atoms won't move
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If you are not using a fix like nve, nvt, npt then atom velocities and
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coordinates will not be updated during timestepping.
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E: KOKKOS package requires run_style verlet/kk
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The KOKKOS package requires the Kokkos version of run_style verlet; the
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regular version cannot be used.
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*/
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