/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator https://www.lammps.org/, 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 INTEGRATE_CLASS // clang-format off IntegrateStyle(verlet,Verlet); // clang-format on #else #ifndef LMP_VERLET_H #define LMP_VERLET_H #include "integrate.h" namespace LAMMPS_NS { class Verlet : public Integrate { public: Verlet(class LAMMPS *, int, char **); void init() override; void setup(int flag) override; void setup_minimal(int) override; void run(int) override; void cleanup() override; protected: int triclinic; // 0 if domain is orthog, 1 if triclinic int torqueflag, extraflag; virtual void force_clear(); }; } // namespace LAMMPS_NS #endif #endif /* ERROR/WARNING messages: W: No fixes defined, atoms won't move If you are not using a fix like nve, nvt, npt then atom velocities and coordinates will not be updated during timestepping. E: KOKKOS package requires run_style verlet/kk The KOKKOS package requires the Kokkos version of run_style verlet; the regular version cannot be used. */