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lammps/src/USER-OMP/pppm_disp_omp.h
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pppm_disp_omp.h
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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/disp/omp,PPPMDispOMP)
#else
#ifndef LMP_PPPM_DISP_OMP_H
#define LMP_PPPM_DISP_OMP_H
#include "pppm_disp.h"
#include "thr_omp.h"
namespace LAMMPS_NS {
class PPPMDispOMP : public PPPMDisp, public ThrOMP {
public:
PPPMDispOMP(class LAMMPS *, int, char **);
virtual ~PPPMDispOMP () {};
virtual void compute(int, int);
protected:
virtual void allocate();
virtual void deallocate();
virtual void compute_gf();
virtual void compute_gf_6();
virtual void particle_map(double,double,double,
double,int**,int,int,
int,int,int,int,int,int);
virtual void fieldforce_c_ik();
virtual void fieldforce_c_ad();
virtual void fieldforce_c_peratom();
virtual void fieldforce_g_ik();
virtual void fieldforce_g_ad();
virtual void fieldforce_g_peratom();
virtual void fieldforce_a_ik();
virtual void fieldforce_a_ad();
virtual void fieldforce_a_peratom();
virtual void make_rho_c();
virtual void make_rho_g();
virtual void make_rho_a();
void compute_rho1d_thr(FFT_SCALAR * const * const, const FFT_SCALAR &,
const FFT_SCALAR &, const FFT_SCALAR &,
const int, FFT_SCALAR * const * const);
void compute_drho1d_thr(FFT_SCALAR * const * const, const FFT_SCALAR &,
const FFT_SCALAR &, const FFT_SCALAR &,
const int, FFT_SCALAR * const * const);
// void compute_rho_coeff();
// void slabcorr(int);
};
}
#endif
#endif
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