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lammps/src/npair_skip_respa.h
2024-06-10 06:46:22 -04:00

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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 NPAIR_CLASS
// clang-format off
typedef NPairSkipRespaTemp<0> NPairSkipRespa;
NPairStyle(skip/half/respa,
NPairSkipRespa,
NP_SKIP | NP_RESPA | NP_HALF | NP_FULL |
NP_NSQ | NP_BIN | NP_MULTI | NP_MULTI_OLD |
NP_NEWTON | NP_NEWTOFF | NP_ORTHO | NP_TRI);
typedef NPairSkipRespaTemp<1> NPairSkipTrimRespa;
NPairStyle(skip/trim/half/respa,
NPairSkipTrimRespa,
NP_SKIP | NP_RESPA | NP_HALF | NP_FULL |
NP_NSQ | NP_BIN | NP_MULTI | NP_MULTI_OLD |
NP_NEWTON | NP_NEWTOFF | NP_ORTHO | NP_TRI | NP_TRIM);
// clang-format on
#else
#ifndef LMP_NPAIR_SKIP_RESPA_H
#define LMP_NPAIR_SKIP_RESPA_H
#include "npair.h"
namespace LAMMPS_NS {
template<int TRIM>
class NPairSkipRespaTemp : public NPair {
public:
NPairSkipRespaTemp(class LAMMPS *);
void build(class NeighList *) override;
};
} // namespace LAMMPS_NS
#endif
#endif