mirror of
https://github.com/triqs/dft_tools
synced 2024-12-26 14:23:38 +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
|
|
#include <triqs/gfs.hpp>
|
|
using namespace triqs::gfs;
|
|
using namespace triqs::arrays;
|
|
#define TEST(X) std::cout << BOOST_PP_STRINGIZE((X)) << " ---> "<< (X) <<std::endl<<std::endl;
|
|
#include <triqs/gfs/local/fourier_matsubara.hpp>
|
|
#include<fstream>
|
|
#include <stdexcept>
|
|
#define TEST(X) std::cout << BOOST_PP_STRINGIZE((X)) << " ---> "<< (X) <<std::endl<<std::endl;
|
|
|
|
void print_to_file(std::string const s, gf<imtime> const & gt){
|
|
std::ofstream mfile(s);
|
|
if(mfile.is_open()){
|
|
for(int i=0;i<gt.mesh().size();i++){
|
|
mfile << gt.mesh().index_to_point(i) << "\t" << gt.data()(i,0,0) << std::endl;
|
|
}
|
|
mfile.close();
|
|
}
|
|
else{
|
|
throw std::runtime_error("Could not print to file");
|
|
}
|
|
}
|
|
|
|
void test_0(){
|
|
|
|
int Ntau = 10001;
|
|
double beta =1;
|
|
|
|
/* ---------- construct a Green's function ---------*/
|
|
|
|
auto G = gf<imfreq> {{beta, Fermion, 100}, {1,1}};
|
|
triqs::clef::placeholder<0> om_;
|
|
G(om_) << 1./(om_ - 2.1);
|
|
|
|
/* ---------- Fourier transform ---------------------*/
|
|
auto Gt = gf<imtime> {{beta, Fermion, Ntau, full_bins}, {1,1}};
|
|
Gt() = inverse_fourier(G);
|
|
|
|
TEST(Gt(0.0));
|
|
|
|
TEST(Gt.data());
|
|
TEST(Gt.mesh().index_to_point(0));
|
|
TEST(Gt.mesh().index_to_point(1));
|
|
|
|
}
|
|
|
|
void test_1(){
|
|
|
|
|
|
double beta=10;
|
|
/* ----- Fourier ----- */
|
|
auto Gt = gf<imtime> {{beta, Fermion, 100,full_bins}, {1,1}};
|
|
auto Gw = gf<imfreq> {{beta, Fermion, 100}, {1,1}};
|
|
Gw.singularity()(1) = 1;
|
|
|
|
Gt() = inverse_fourier(Gw);
|
|
}
|
|
|
|
int main() {
|
|
|
|
test_0();
|
|
test_1();
|
|
|
|
}
|
|
|
|
|
|
|
|
|