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/* -*- c++ -*- ----------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
http://lammps.sandia.gov, 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: W. Michael Brown (Intel)
------------------------------------------------------------------------- */
#ifdef NPAIR_CLASS
NPairStyle(halffull/newton/intel,
NPairHalffullNewtonIntel,
NP_HALF_FULL | NP_NEWTON | NP_HALF | NP_NSQ | NP_BIN | NP_MULTI |
NP_ORTHO | NP_TRI| NP_INTEL)
NPairStyle(halffull/newton/skip/intel,
NPairHalffullNewtonIntel,
NP_HALF_FULL | NP_NEWTON | NP_HALF | NP_NSQ | NP_BIN | NP_MULTI |
NP_ORTHO | NP_TRI | NP_SKIP | NP_INTEL)
#else
#ifndef LMP_NPAIR_HALFFULL_NEWTON_INTEL_H
#define LMP_NPAIR_HALFFULL_NEWTON_INTEL_H
#include "npair.h"
#include "fix_intel.h"
#if defined(_OPENMP)
#include <omp.h>
#endif
namespace LAMMPS_NS {
class NPairHalffullNewtonIntel : public NPair {
public:
NPairHalffullNewtonIntel(class LAMMPS *);
~NPairHalffullNewtonIntel() {}
void build(class NeighList *);
protected:
FixIntel *_fix;
template<class flt_t, class acc_t>
void build_t(NeighList *, IntelBuffers<flt_t,acc_t> *);
template<class flt_t>
void build_t3(NeighList *, int *);
};
}
#endif
#endif
/* ERROR/WARNING messages:
E: The 'package intel' command is required for /intel styles
Self explanatory.
*/