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lammps/src/KSPACE/fft3d_wrap.cpp
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fft3d_wrap.cpp
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/* ----------------------------------------------------------------------
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.
------------------------------------------------------------------------- */
#include "mpi.h"
#include "fft3d_wrap.h"
#include "error.h"
using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */
FFT3d::FFT3d(LAMMPS *lmp, MPI_Comm comm, int nfast, int nmid, int nslow,
int in_ilo, int in_ihi, int in_jlo, int in_jhi,
int in_klo, int in_khi,
int out_ilo, int out_ihi, int out_jlo, int out_jhi,
int out_klo, int out_khi,
int scaled, int permute, int *nbuf) : Pointers(lmp)
{
plan = fft_3d_create_plan(comm,nfast,nmid,nslow,
in_ilo,in_ihi,in_jlo,in_jhi,in_klo,in_khi,
out_ilo,out_ihi,out_jlo,out_jhi,out_klo,out_khi,
scaled,permute,nbuf);
if (plan == NULL) error->one("Could not create 3d FFT plan");
}
/* ---------------------------------------------------------------------- */
FFT3d::~FFT3d()
{
fft_3d_destroy_plan(plan);
}
/* ---------------------------------------------------------------------- */
void FFT3d::compute(double *in, double *out, int flag)
{
fft_3d((FFT_DATA *) in,(FFT_DATA *) out,flag,plan);
}
/* ---------------------------------------------------------------------- */
void FFT3d::timing1d(double *in, int nsize, int flag)
{
fft_1d_only((FFT_DATA *) in,nsize,flag,plan);
}
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