mirror of
https://github.com/triqs/dft_tools
synced 2024-11-01 19:53:45 +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.
89 lines
2.0 KiB
C++
89 lines
2.0 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;
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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 G1 = gf<imfreq>({beta, Fermion}, {2, 2});
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auto G2 = G1;
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auto G3 = G2;
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// construct some block functions
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auto B0 = block_gf<imfreq>(3);
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auto B1 = make_block_gf<imfreq>(3, G1);
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auto B2 = make_block_gf<imfreq>({G1, G1, G1});
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auto B3 = make_block_gf<imfreq>({"a", "b", "c"}, {G1, G1, G1});
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auto B4 = block_gf<imfreq>(1);
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// test hdf5
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{
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h5::file file("ess_gf.h5", H5F_ACC_TRUNC);
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h5_write(file, "B3", B3);
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}
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{
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h5::file file("ess_gf.h5", H5F_ACC_RDONLY);
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std::cout << "B4 mesh" << B4.mesh().size() << std::endl;
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h5_read(file, "B3", B4);
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std::cout << "B4 mesh" << B4.mesh().size() << std::endl;
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}
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B1[0][0] = 98;
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// not implemented yet
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// B3["a"][0] = 98;
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auto View = make_block_gf_view(G1, G2, G3);
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std::cout << "Number of blocks " << View.mesh().size() << std::endl;
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auto g0 = View[0];
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auto g0v = View[0]();
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auto Gv = g0();
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Gv[0] = 20;
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TEST(G1(0));
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Gv[0] = 0;
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g0v[0] = 3.2;
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TEST(G1(0));
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// Operation
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g0[0] = 3.2;
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TEST(View[0](0));
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View = View / 2;
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TEST(View[0](0));
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// try the loop over the block.
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for (auto& g : View) {
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g[0] = 20;
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}
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for (auto& g : B1) {
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g[0] = 20;
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}
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// check chaining of clef
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clef::placeholder<0> b_;
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clef::placeholder<1> om_;
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B1[b_][om_] << b_ / (om_ + 2);
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auto B11 = B1;
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B1[b_](om_) << B11[b_](om_) * B1[b_](om_) * B11[b_](om_);
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// does not work
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// std::vector<gf<imfreq>> green_v;
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// green_v.emplace_back({beta, Fermion}, {2,2} );
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// test reinterpretation
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// compile only, add more test here
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auto gs1 = gf<imfreq, scalar_valued>({beta, Fermion});
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auto bgs = make_block_gf<imfreq>(3, gs1);
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auto bg = reinterpret_scalar_valued_gf_as_matrix_valued(bgs);
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}
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TRIQS_CATCH_AND_ABORT;
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}
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