mirror of
https://github.com/triqs/dft_tools
synced 2024-11-01 19:53:45 +01:00
0a1285405c
- Add Fourier for lattice. - Add regular_bz_mesh, cyclic_lattice, and their FFT. - rm freq_infty. - The gf can now be evaluated on a tail_view, which result in composing the tail. - Fix the following issue : g(om_) << g(om_ +1) will recompose the tail correctly. - TODO : TEST THIS NEW FEATURE IN DETAIL. - Work on singularity for G(x, omega) - Separate the factory for singularity from the data factory in gf. - overload assign_from_functoin (renamed). - Fix singularity_t and co in the gf (const issue). - Clean tail, add tail_const_view - add m_tail for x -> tail on any mesh - test curry + fourier works on k
90 lines
4.5 KiB
C++
90 lines
4.5 KiB
C++
/*******************************************************************************
|
|
*
|
|
* TRIQS: a Toolbox for Research in Interacting Quantum Systems
|
|
*
|
|
* Copyright (C) 2014 by O. Parcollet
|
|
*
|
|
* TRIQS is free software: you can redistribute it and/or modify it under the
|
|
* terms of the GNU General Public License as published by the Free Software
|
|
* Foundation, either version 3 of the License, or (at your option) any later
|
|
* version.
|
|
*
|
|
* TRIQS is distributed in the hope that it will be useful, but WITHOUT ANY
|
|
* WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
|
|
* FOR A PARTICULAR PURPOSE. See the GNU General Public License for more
|
|
* details.
|
|
*
|
|
* You should have received a copy of the GNU General Public License along with
|
|
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
|
|
*
|
|
******************************************************************************/
|
|
#include "./fourier_lattice.hpp"
|
|
#include <fftw3.h>
|
|
|
|
#define ASSERT_EQUAL(X,Y,MESS) if (X!=Y) TRIQS_RUNTIME_ERROR << MESS;
|
|
|
|
namespace triqs {
|
|
namespace gfs {
|
|
|
|
// We rewrite the scalar in term of the matrix
|
|
// We will change this for other FFT later when this FFT on lattice is checked.
|
|
void _fourier_impl(gf_view<bz, scalar_valued> gk, gf_const_view<cyclic_lattice, scalar_valued> gr) {
|
|
_fourier_impl(reinterpret_scalar_valued_gf_as_matrix_valued(gk), reinterpret_scalar_valued_gf_as_matrix_valued(gr));
|
|
}
|
|
//--------------------------------------------------------------------------------------
|
|
|
|
void _fourier_impl(gf_view<cyclic_lattice, scalar_valued> gr, gf_const_view<bz, scalar_valued> gk) {
|
|
_fourier_impl(reinterpret_scalar_valued_gf_as_matrix_valued(gr), reinterpret_scalar_valued_gf_as_matrix_valued(gk));
|
|
}
|
|
|
|
//--------------------------------------------------------------------------------------
|
|
|
|
// The implementation is almost the same in both cases...
|
|
template <typename V1, typename V2>
|
|
void __impl(int sign, gf_view<V1, matrix_valued> g_out, gf_const_view<V2, matrix_valued> g_in) {
|
|
|
|
ASSERT_EQUAL(g_out.data().shape(), g_in.data().shape(), "Meshes are different");
|
|
ASSERT_EQUAL(g_out.data().indexmap().strides()[1], g_out.data().shape()[1], "Unexpected strides in fourier implementation");
|
|
ASSERT_EQUAL(g_out.data().indexmap().strides()[2], 1, "Unexpected strides in fourier implementation");
|
|
ASSERT_EQUAL(g_in.data().indexmap().strides()[1], g_in.data().shape()[1], "Unexpected strides in fourier implementation");
|
|
ASSERT_EQUAL(g_in.data().indexmap().strides()[2], 1, "Unexpected strides in fourier implementation");
|
|
|
|
auto L = g_in.mesh().get_dimensions();
|
|
auto rank = g_in.mesh().rank();
|
|
auto in_FFT = reinterpret_cast<fftw_complex*>(g_in.data().data_start());
|
|
auto outFFT = reinterpret_cast<fftw_complex*>(g_out.data().data_start());
|
|
// auto p = fftw_plan_dft(rank, L.ptr(), in_FFT, outFFT, FFTW_BACKWARD, FFTW_ESTIMATE);
|
|
|
|
// use the general routine that can do all the matrices at once.
|
|
auto p = fftw_plan_many_dft(rank, // rank
|
|
L.ptr(), // the dimension
|
|
g_in.data().shape()[1] * g_in.data().shape()[2], // how many FFT : here 1
|
|
in_FFT, // in data
|
|
NULL, // embed : unused. Doc unclear ?
|
|
g_in.data().indexmap().strides()[0], // stride of the in data
|
|
1, // in : shift for multi fft.
|
|
outFFT, // out data
|
|
NULL, // embed : unused. Doc unclear ?
|
|
g_out.data().indexmap().strides()[0], // stride of the out data
|
|
1, // out : shift for multi fft.
|
|
sign, FFTW_ESTIMATE);
|
|
|
|
|
|
fftw_execute(p);
|
|
fftw_destroy_plan(p);
|
|
}
|
|
|
|
//--------------------------------------------------------------------------------------
|
|
|
|
void _fourier_impl(gf_view<bz, matrix_valued> gk, gf_const_view<cyclic_lattice, matrix_valued> gr) {
|
|
__impl(FFTW_BACKWARD, gk, gr);
|
|
}
|
|
|
|
//--------------------------------------------------------------------------------------
|
|
void _fourier_impl(gf_view<cyclic_lattice, matrix_valued> gr, gf_const_view<bz, matrix_valued> gk) {
|
|
__impl(FFTW_FORWARD, gr, gk);
|
|
gr.data() /= gk.mesh().size();
|
|
}
|
|
}
|
|
}
|