mirror of
https://github.com/triqs/dft_tools
synced 2024-10-31 19:23:45 +01:00
118 lines
2.7 KiB
C++
118 lines
2.7 KiB
C++
//#define TRIQS_ARRAYS_ENFORCE_BOUNDCHECK
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#include <triqs/gfs/imfreq.hpp>
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#include <triqs/gfs/imtime.hpp>
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#include <triqs/gfs/local/fourier_matsubara.hpp>
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#include<fstream>
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namespace tql= triqs::clef;
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namespace tqa= triqs::arrays;
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using tqa::range;
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using triqs::arrays::make_shape;
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using triqs::gfs::Fermion;
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using triqs::gfs::gf;
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using triqs::gfs::imfreq;
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using triqs::gfs::imtime;
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using triqs::gfs::make_gf;
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using triqs::gfs::full_bins;
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using triqs::gfs::half_bins;
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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 = make_gf<imfreq> (beta, Fermion, make_shape(1,1), 100);
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triqs::clef::placeholder<0> om_;
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G(om_) << 1./(om_ - 2.1);
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//auto omega_mesh = make_mesh();
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//auto tail = ;
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//auto G2 = make_gf(omega_mesh, make_shape(1,1), tail) ;
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/* ---------- Fourier transform ---------------------*/
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auto Gt = make_gf<imtime> (beta, Fermion, make_shape(1,1), Ntau, full_bins);
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Gt() = lazy_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());//does not work: mesh has no <<
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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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/* -------- Read/write -----------------------------*/
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/* print_to_file("Gtau.dat", Gt);
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H5::H5File hfile("store_G.h5",H5F_ACC_TRUNC);
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h5_write(hfile, "G_tau", Gt);
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auto Gt2 = make_gf<imtime> (beta, Fermion, make_shape(1,1));
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h5_read(hfile, "G_tau", Gt2);
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H5::H5File file2("store_G2.h5",H5F_ACC_TRUNC);
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h5_write(file2, "G_tau", Gt2);
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//TEST(Gt==Gt2);//does not work: no == operator
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*/
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/* ------------ other example ----------*/
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//auto G = make_gf<imfreq> (beta, Fermion, make_shape(1,1));
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//triqs::clef::placeholder<0> om_;
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//triqs::vec
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//G(om_) << 1./(om_ - 2.1);
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//auto Gt = make_gf<imtime> (beta, Fermion, make_shape(2,2), n_tau, full_bins);
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//auto Gt = make_gf<imfreq> (beta, Fermion, make_shape(2,2), n_max);
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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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size_t N1=1;
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size_t N2=1;
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size_t size_ = 5;
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long order_min=-1;
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triqs::gfs::local::tail t(N1,N2, size_, order_min);
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t(1)=1;
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auto Gt = make_gf<imtime> (beta, Fermion, make_shape(1,1),100,full_bins, t);
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auto Gw = make_gf<imfreq> (beta, Fermion, make_shape(1,1),100, t);
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Gt() = lazy_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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