mirror of
https://github.com/triqs/dft_tools
synced 2024-11-01 11:43:47 +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
58 lines
1.6 KiB
C++
58 lines
1.6 KiB
C++
#define TRIQS_ARRAYS_ENFORCE_BOUNDCHECK
|
|
#include <triqs/gfs.hpp>
|
|
#include <triqs/gfs/bz.hpp>
|
|
#include <triqs/gfs/cyclic_lattice.hpp>
|
|
#include <triqs/gfs/local/fourier_lattice.hpp>
|
|
|
|
namespace h5 = triqs::h5;
|
|
using namespace triqs::gfs;
|
|
using namespace triqs::clef;
|
|
using namespace triqs::arrays;
|
|
using namespace triqs::lattice;
|
|
|
|
#define TEST(X) std::cout << BOOST_PP_STRINGIZE((X)) << " ---> " << (X) << std::endl << std::endl;
|
|
|
|
int main() {
|
|
try {
|
|
double beta = 1;
|
|
int N = 10;
|
|
int S = 2;
|
|
placeholder<0> k_;
|
|
placeholder<1> r_;
|
|
|
|
auto bz_ = brillouin_zone{bravais_lattice{make_unit_matrix<double>(2)}};
|
|
auto gk = gf<bz>{{bz_, N}, {S, S}};
|
|
|
|
gk(k_) << -2 * (cos(k_(0)) + cos(k_(1)));
|
|
|
|
auto gr = gf<cyclic_lattice>{{N, N}, {S, S}};
|
|
|
|
gr() = inverse_fourier(gk); // ADD Security if gf =
|
|
|
|
// for (auto k : gk.mesh()) if (max_element(abs(gk[k])) > 1.e-10) std::cout << k << gk[k] << std::endl;
|
|
|
|
for (auto r : gr.mesh())
|
|
if (max_element(abs(gr[r])) > 1.e-10) std::cout << r << gr[r] << std::endl;
|
|
|
|
// reverse transfo
|
|
auto gk2 = gk;
|
|
gk2() = fourier(gr);
|
|
if (max_element(abs(gk.data() - gk2.data())) > 1.e-13) TRIQS_RUNTIME_ERROR << "fourier pb";
|
|
|
|
// check gr
|
|
auto gr_test = gf<cyclic_lattice>{{N, N}, {S, S}};
|
|
gr_test[{1,0,0}] = -1;
|
|
gr_test[{-1,0,0}] = -1;
|
|
gr_test[{0,1,0}] = -1;
|
|
gr_test[{0,-1,0}] = -1;
|
|
|
|
if (max_element(abs(gr.data() - gr_test.data())) > 1.e-13) TRIQS_RUNTIME_ERROR << "fourier inverse pb"; // << gr.data() << gr_test.data();
|
|
|
|
// hdf5
|
|
h5::file file("ess_g_r_k.h5", H5F_ACC_TRUNC);
|
|
h5_write(file, "gr", gr);
|
|
h5_write(file, "gk", gk);
|
|
}
|
|
TRIQS_CATCH_AND_ABORT;
|
|
}
|