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lammps/src/OPENMP/improper_class2_omp.h
2022-01-20 17:36:43 -05:00

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/* -*- 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.
------------------------------------------------------------------------- */
/* ----------------------------------------------------------------------
Contributing author: Axel Kohlmeyer (Temple U)
------------------------------------------------------------------------- */
#ifdef IMPROPER_CLASS
// clang-format off
ImproperStyle(class2/omp,ImproperClass2OMP);
// clang-format on
#else
#ifndef LMP_IMPROPER_CLASS2_OMP_H
#define LMP_IMPROPER_CLASS2_OMP_H
#include "improper_class2.h"
#include "thr_omp.h"
namespace LAMMPS_NS {
class ImproperClass2OMP : public ImproperClass2, public ThrOMP {
public:
ImproperClass2OMP(class LAMMPS *lmp);
void compute(int, int) override;
private:
template <int EVFLAG, int EFLAG, int NEWTON_BOND>
void eval(int ifrom, int ito, ThrData *const thr);
template <int EVFLAG, int EFLAG, int NEWTON_BOND>
void angleangle_thr(int, int, ThrData *const thr);
};
} // namespace LAMMPS_NS
#endif
#endif