mirror of
https://github.com/triqs/dft_tools
synced 2024-12-27 06:43:40 +01:00
40f8cb5c18
- necessary otherwise the class gf and the namespace have the same name, leading to some confusion, and need to qualify some functions (specially on gcc). Same naming conventions as arrays.
118 lines
2.7 KiB
C++
118 lines
2.7 KiB
C++
//#define TRIQS_ARRAYS_ENFORCE_BOUNDCHECK
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#include <triqs/gf/imfreq.hpp>
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#include <triqs/gf/imtime.hpp>
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#include <triqs/gf/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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