mirror of
https://github.com/triqs/dft_tools
synced 2024-11-01 03:33:50 +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.
38 lines
925 B
C++
38 lines
925 B
C++
#define TRIQS_ARRAYS_ENFORCE_BOUNDCHECK
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#include <triqs/gfs.hpp>
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#include <triqs/gfs/bz.hpp>
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namespace h5 = triqs::h5;
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using namespace triqs::gfs;
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using namespace triqs::clef;
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using namespace triqs::arrays;
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using namespace triqs::lattice;
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#define TEST(X) std::cout << BOOST_PP_STRINGIZE((X)) << " ---> " << (X) << std::endl << std::endl;
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int main() {
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try {
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double beta = 1;
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auto bz_ = brillouin_zone{bravais_lattice{make_unit_matrix<double>(2)}};
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auto g_eps = gf<bz>{{bz_, 1000}, {1, 1}};
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auto G = gf<cartesian_product<bz, imfreq>>{{{bz_, 100}, {beta, Fermion, 100}}, {1, 1}};
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// try to assign to expression
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placeholder<0> k_;
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placeholder<1> w_;
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auto eps = make_expr( [](k_t const& k) { return -2 * (cos(k(0)) + cos(k(1))); }) ;
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G(k_, w_) << 1 / (w_ - eps(k_) - 1 / (w_ + 2));
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// hdf5
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h5::file file("ess_g_k_om.h5", H5F_ACC_TRUNC );
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h5_write(file, "g", G);
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}
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TRIQS_CATCH_AND_ABORT;
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}
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