mirror of
https://github.com/triqs/dft_tools
synced 2024-12-27 23:03:51 +01:00
4af1afbdaf
- For users : only change is :
H5::H5File in apps. to be replaced by triqs::h5::file, same API.
- using only the C API because :
- it is cleaner, better documented, more examples.
- it is the native hdf5 interface.
- simplify the installation e.g. on mac. Indeed, hdf5 is
usually installed without C++ interface, which is optional.
E.g. EPD et al., brew by default.
Also the infamous mpi+ hdf5_cpp bug, for which we have no clean solution.
- clean the notion of parent of a group. Not needed, better iterate function in C LT API.
- modified doc : no need for C++ bindings any more.
- modified cmake to avoid requiring CPP bindings.
48 lines
1.5 KiB
C++
48 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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namespace h5 = triqs::h5;
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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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int main() {
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double precision=10e-9;
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h5::file file("test_fourier_matsubara.h5",H5F_ACC_TRUNC);
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triqs::clef::placeholder<0> om_;
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double beta =1;
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int N=10000;
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double E=1;
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auto Gw1 = gf<imfreq> {{beta, Fermion, N}, {1,1}};
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Gw1(om_) << 1/(om_-E);
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h5_write(file, "Gw1", Gw1); // the original lorentzian
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auto Gt1 = gf<imtime> {{beta, Fermion, N}, {1,1}};
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Gt1() = inverse_fourier(Gw1);
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h5_write(file, "Gt1", Gt1); // the lorentzian TF : lorentzian_inverse
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///verification that TF(TF^-1)=Id
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auto Gw1b = gf<imfreq> {{beta, Fermion, N}, {1,1}};
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Gw1b() = fourier(Gt1);
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for(auto const& w:Gw1.mesh()){
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if ( std::abs(Gw1b[w](0,0)-Gw1[w](0,0)) > precision) TRIQS_RUNTIME_ERROR<<" fourier_matsubara error : w="<<std::complex<double>(w)<<" ,Gw1b="<<std::abs(Gw1b[w](0,0))<<"\n";
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}
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h5_write(file,"Gw1b",Gw1b); // must be 0
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///verification that the TF is OK
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for(auto const & t:Gt1.mesh()){
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Gt1[t]-= exp(-E*t) * ( (t>0?-1:0)+1/(1+exp(E*beta)) );
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if ( std::abs(Gt1[t](0,0)) > precision) TRIQS_RUNTIME_ERROR<<" fourier_matsubara error : t="<<t<<" ,G1="<<std::abs(Gt1[t](0,0))<<"\n";
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}
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h5_write(file,"Gt1b",Gt1); // must be 0
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///to verify that fourier computes
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auto Gw2 = gf<imfreq> {{beta, Fermion}, {1,1}};
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Gw2() = fourier(Gt1);
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}
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