mirror of
https://github.com/triqs/dft_tools
synced 2024-12-27 06:43:40 +01:00
3aa380ba9d
When constructing the last unit vector in 2D, the sanity check was wrong because of usage of abs instead of std::abs. Added method energy_on_bz_path_2 that returns the energy *matrix* at each k point on a given path instead of the eigenvalues of this matrix. The name of the function should be changed (to energy_matrix_on_bz_path?) Renaming energies_on_bz_path_2 to energy_matrix_on_bz_path
69 lines
1.5 KiB
C++
69 lines
1.5 KiB
C++
#define TRIQS_ARRAYS_ENFORCE_BOUNDCHECK
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#include <triqs/gfs.hpp>
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using namespace triqs::gfs;
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using namespace triqs::arrays;
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#define TEST(X) std::cout << BOOST_PP_STRINGIZE((X)) << " ---> "<< (X) <<std::endl<<std::endl;
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#include <triqs/gfs/local/fourier_matsubara.hpp>
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#include<fstream>
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#include <stdexcept>
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#define TEST(X) std::cout << BOOST_PP_STRINGIZE((X)) << " ---> "<< (X) <<std::endl<<std::endl;
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void print_to_file(std::string const s, gf<imtime> const & gt){
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std::ofstream mfile(s);
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if(mfile.is_open()){
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for(int i=0;i<gt.mesh().size();i++){
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mfile << gt.mesh().index_to_point(i) << "\t" << gt.data()(i,0,0) << std::endl;
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}
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mfile.close();
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}
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else{
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throw std::runtime_error("Could not print to file");
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}
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}
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void test_0(){
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int Ntau = 10001;
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double beta =1;
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/* ---------- construct a Green's function ---------*/
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auto G = gf<imfreq> {{beta, Fermion, 100}, {1,1}};
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triqs::clef::placeholder<0> om_;
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G(om_) << 1./(om_ - 2.1);
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/* ---------- Fourier transform ---------------------*/
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auto Gt = gf<imtime> {{beta, Fermion, Ntau, full_bins}, {1,1}};
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Gt() = inverse_fourier(G);
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TEST(Gt(0.0));
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TEST(Gt.data());
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TEST(Gt.mesh().index_to_point(0));
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TEST(Gt.mesh().index_to_point(1));
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}
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void test_1(){
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double beta=10;
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/* ----- Fourier ----- */
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auto Gt = gf<imtime> {{beta, Fermion, 100,full_bins}, {1,1}};
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auto Gw = gf<imfreq> {{beta, Fermion, 100}, {1,1}};
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Gw.singularity()(1) = 1;
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Gt() = inverse_fourier(Gw);
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}
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int main() {
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test_0();
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test_1();
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}
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