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.
87 lines
1.8 KiB
C++
87 lines
1.8 KiB
C++
#define TRIQS_ARRAYS_ENFORCE_BOUNDCHECK
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#include <triqs/gfs.hpp>
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#include <triqs/gfs/local/fourier_real.hpp>
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using namespace triqs::gfs;
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using triqs::clef::placeholder;
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namespace h5 = triqs::h5;
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int main() {
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// scalar valued gf_vertex
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using gf_vertex_t = gf<cartesian_product<imfreq,imfreq,imfreq>, scalar_valued>;
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using gf_vertex_tensor_t = gf<cartesian_product<imfreq,imfreq,imfreq>, tensor_valued<3>>;
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try {
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double beta =10.0;
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int n_im_freq=10;
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auto m = gf_mesh<imfreq> {beta, Fermion, n_im_freq};
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auto vertex = gf_vertex_t { {m,m,m} };
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auto vertex2 = gf_vertex_t{}; //vertex;
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placeholder<0> w0_;
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placeholder<1> w1_;
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placeholder<2> w2_;
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vertex (w0_, w1_, w2_) << w0_ + 2.3*w1_ + 3.1*w2_;
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vertex [{0,0,0}] = 10;
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std::cout << " vertex [{1,6,3}] " << vertex [{1,6,3}] << std::acos(-1)*(2*1 +1)/10.0 + 2.3*std::acos(-1)*(2*6 +1)/10.0 + 3.1*std::acos(-1)*(2*3 +1)/10.0 << std::endl ;
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auto v = on_mesh(vertex);
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v(0,0,0) *=2;
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std::cout << vertex(0,0,0)<< std::endl;
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//saving
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{
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h5::file file("vertex1.h5", H5F_ACC_TRUNC );
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h5_write(file, "v", vertex);
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}
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// loading
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{
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h5::file file("vertex1.h5", H5F_ACC_RDONLY );
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h5_read(file, "v", vertex2);
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}
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//resaving
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{
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h5::file file("vertex1b.h5", H5F_ACC_TRUNC );
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h5_write(file, "v", vertex2);
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}
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// now with indices
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auto vertex3 = gf_vertex_tensor_t { {m,m,m} , {2,2,2} };
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auto vertex3b = vertex3;
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vertex3 [{0,0,0}](0,0,0) = 10;
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std::cout << vertex3(0,0,0)<< std::endl;
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//saving
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{
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h5::file file("vertex3.h5", H5F_ACC_TRUNC );
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h5_write(file, "v", vertex3);
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}
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// loading
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{
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h5::file file("vertex3.h5", H5F_ACC_RDONLY );
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h5_read(file, "v", vertex3b);
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}
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//resaving
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{
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h5::file file("vertex3b.h5", H5F_ACC_TRUNC );
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h5_write(file, "v", vertex3b);
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}
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}
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TRIQS_CATCH_AND_ABORT;
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}
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