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.
59 lines
1.8 KiB
C++
59 lines
1.8 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/functions.hpp>
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int main() {
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try {
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double beta = 1, a = 1;
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// construct
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auto gw_n = gf<imfreq, matrix_valued, no_tail>{{beta, Fermion}, {2, 2}};
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auto gt_n = gf<imtime, matrix_valued, no_tail>{{beta, Fermion, 100}, {2, 2}};
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// make a view from a g with a tail
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auto gw = gf<imfreq, matrix_valued>{{beta, Fermion}, {2, 2}};
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auto gt = gf<imtime, matrix_valued>{gf_mesh<imtime>{beta, Fermion, 100}, {2, 2}};
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auto vw = make_gf_view_without_tail(gw);
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auto vt = make_gf_view_without_tail(gt);
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triqs::clef::placeholder<0> tau_;
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// should not and does not compile : improve error message ???
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// gt(tau_) << exp(-a * tau_) / (1 + exp(-beta * a));
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vt(tau_) << exp(-a * tau_) / (1 + exp(-beta * a));
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// test hdf5
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h5::file file("ess_g_notail.h5", H5F_ACC_TRUNC);
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h5_write(file, "g", vt);
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// rebuilding a new gf...
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auto g3 = make_gf_from_g_and_tail(vw, gw.singularity());
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// need to test all this....
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//test antiperiodicity
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auto Gt = gf<imtime, scalar_valued, no_tail>{ { beta, Fermion, 1000 }, { } };
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Gt(tau_) << exp(-tau_);
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TEST(Gt(0.01));
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TEST(Gt(.5));
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TEST(Gt(.9));
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TEST(Gt(-.1));//should be equal to line above
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//fourier
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gw_n (tau_) << 1/(tau_-1.);
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auto gt_with_full_tail = make_gf_from_inverse_fourier(make_gf_from_g_and_tail(gw_n, gw.singularity()));
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TEST(gt_with_full_tail(.5));
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triqs::gfs::local::tail t(2,2);
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t(1)=1;
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TEST(t);
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auto gt_tail_with_one_term = make_gf_from_inverse_fourier(make_gf_from_g_and_tail(gw_n, t));
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TEST(gt_tail_with_one_term(.5));
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}
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TRIQS_CATCH_AND_ABORT;
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}
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