77 lines
2.0 KiB
C++
77 lines
2.0 KiB
C++
/* -*- c++ -*- ----------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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http://lammps.sandia.gov, 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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/* ----------------------------------------------------------------------
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Contributing authors: Rodrigo Canales (RWTH Aachen University)
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W. Michael Brown (Intel)
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------------------------------------------------------------------------- */
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#ifdef KSPACE_CLASS
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KSpaceStyle(pppm/intel,PPPMIntel)
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#else
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#ifndef LMP_PPPMINTEL_H
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#define LMP_PPPMINTEL_H
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#include "pppm.h"
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#include "fix_intel.h"
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namespace LAMMPS_NS {
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class PPPMIntel : public PPPM {
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public:
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PPPMIntel(class LAMMPS *, int, char **);
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virtual ~PPPMIntel();
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virtual void init();
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virtual void compute(int, int);
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void compute_first(int, int);
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void compute_second(int, int);
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void pack_buffers();
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#ifdef _LMP_INTEL_OFFLOAD
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int use_base();
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#endif
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protected:
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FixIntel *fix;
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#ifdef _LMP_INTEL_OFFLOAD
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int _use_base;
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#endif
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template<class flt_t, class acc_t>
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void particle_map(IntelBuffers<flt_t,acc_t> *buffers);
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template<class flt_t, class acc_t>
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void make_rho(IntelBuffers<flt_t,acc_t> *buffers);
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template<class flt_t, class acc_t>
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void fieldforce_ik(IntelBuffers<flt_t,acc_t> *buffers);
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template<class flt_t, class acc_t>
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void fieldforce_ad(IntelBuffers<flt_t,acc_t> *buffers);
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};
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}
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#endif
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#endif
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/* ERROR/WARNING messages:
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E: PPPM order greater than supported by USER-INTEL
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There is a compile time limit on the maximum order for PPPM
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in the USER-INTEL package that might be different from LAMMPS
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*/
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