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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.
------------------------------------------------------------------------- */
#ifdef KSPACE_CLASS
KSpaceStyle(pppm/omp,PPPMOMP)
#else
#ifndef LMP_PPPM_OMP_H
#define LMP_PPPM_OMP_H
#include "pppm.h"
#include "thr_omp.h"
namespace LAMMPS_NS {
class PPPMOMP : public PPPM, public ThrOMP {
public:
PPPMOMP(class LAMMPS *);
virtual ~PPPMOMP ();
virtual void compute(int, int);
protected:
virtual void allocate();
virtual void compute_gf_ik();
virtual void compute_gf_ad();
virtual void make_rho();
virtual void fieldforce_ik();
virtual void fieldforce_ad();
virtual void fieldforce_peratom();
private:
void compute_rho1d_thr(FFT_SCALAR * const * const, const FFT_SCALAR &,
const FFT_SCALAR &, const FFT_SCALAR &);
void compute_drho1d_thr(FFT_SCALAR * const * const, const FFT_SCALAR &,
const FFT_SCALAR &, const FFT_SCALAR &);
// void slabcorr(int);
};
}
#endif
#endif