mirror of
https://github.com/triqs/dft_tools
synced 2024-12-26 22:33:48 +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.
148 lines
3.2 KiB
C++
148 lines
3.2 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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// example
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//template<typename T> using block_gf = gf<block_index, gf<T>>;
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// block_gf<imtime> ...
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// but not on gcc 4.6 !
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//
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int main() {
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try {
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triqs::gfs::freq_infty inf;
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double beta =1;
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auto G = gf<imfreq>{ {beta, Fermion}, {2,2} };
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auto Gc = gf<imfreq>{ {beta, Fermion}, {2,2} };
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auto G3 = gf<imfreq>{ {beta, Fermion}, {2,2} };
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auto Gt = gf<imtime>{ {beta, Fermion,100}, {2,2} };
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auto Gv = G();
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TEST( G( 0) ) ;
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Gv.on_mesh(0) = 20;
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TEST( Gv( 0) ) ;
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TEST( G( 0) ) ;
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Gv.on_mesh(0) = 0;
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auto Gv2 = slice_target(G(),range(0,1),range(0,1));
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TEST( Gv2( 0) ) ;
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Gv2.on_mesh(0) = 10;
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TEST( Gv2( 0) ) ;
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TEST( G( 0) ) ;
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triqs::clef::placeholder<0> om_;
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TEST( G(om_) ) ;
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TEST( eval(G(om_), om_=0) ) ;
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TEST( Gv(om_) ) ;
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TEST( eval(Gv(om_), om_=0) ) ;
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std::cout <<"-------------lazy assign 1 ------------------"<<std::endl;
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Gv(om_) << (0.2 + om_ + 2.1);
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TEST(G(0));
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TEST(G(inf));
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std::cout <<"-------------lazy assign 2 ------------------"<<std::endl;
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G(om_) << 1/(om_ + 2.3);
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TEST(G(0));
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TEST(G(inf));
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TEST(inverse(G(inf)));
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std::cout <<"----------------- 3 --------------------"<<std::endl;
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TEST( Gv(om_) ) ;
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TEST( eval(Gv(om_), om_=0) ) ;
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// tail
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auto t = G(inf);
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TEST(t.order_min());
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TEST( t( 2) ) ;
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TEST( Gv2(inf)( 2) ) ;
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// copy
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Gc = G;
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TEST( G( 0) ) ;
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TEST( Gc( 0) ) ;
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// operations on gf
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G3 = G +2* Gc;
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G3 = G + Gc;
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// TEST( G3( 0) ) ;
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// G3 = G3 /2.0;
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// TEST( G3( 0) ) ;
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// does not compile : ok
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// G3 = G + Gt;
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//
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std::cout <<"----------------- 4 --------------------"<<std::endl;
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// test for density
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TEST( density(G3) );
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// should not compile
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//G3 = G + Gt;
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//#define ALL_TEST
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#ifdef ALL_TEST
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for (int u=0; u<10; ++u) {
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TEST( (G + 2.0* Gc)( u) ) ;
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TEST( (8.0*G + 2.0* Gc)( u) ) ;
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TEST( (8.0*G - 2.0* Gc)( u) ) ;
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TEST( (G - Gc)( u) ) ;
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TEST( (G - 2.0* Gc)( u) ) ;
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TEST( (G * Gc)( u) ) ;
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}
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#endif
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TEST( G( 0) ) ;
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TEST(G(inf)(2));
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TEST( ( G(inf) + G(inf) ) (2));
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TEST( ( G(inf) * G(inf) ) (4));
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TEST( t(1));
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//tqa::array<double,9> A(1,2,3,4,5,6,7,8,9); A()=0;
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//auto x = local::impl::gf_impl<triqs::gfs::meshes::imfreq, true>::wrap_infty (G.tail_view()) + 2.0;
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// test hdf5
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h5::file file("ess_gf.h5", H5F_ACC_TRUNC );
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h5_write(file, "g", G);
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//
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{
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auto G0w = gf<imfreq, scalar_valued>{{beta, Fermion, 100}};
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auto D0w = gf<imfreq, scalar_valued>{{beta, Boson, 100}};
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auto Sigma_w = gf<imfreq, scalar_valued>{{beta, Fermion, 100}};
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G0w(om_) << 1 / (om_ - 3);
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for (auto const& nu : D0w.mesh()) Sigma_w(om_) << 2 * G0w(om_ - nu);
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}
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//
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{
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auto G0w = gf<imfreq, matrix_valued>{{beta, Fermion, 100}, {1,1}};
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auto D0w = gf<imfreq, matrix_valued>{{beta, Boson, 100}, {1,1}};
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auto Sigma_w = gf<imfreq, matrix_valued>{{beta, Fermion, 100}, {1,1}} ;
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G0w(om_) << 1 / (om_ - 3);
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for (auto const& nu : D0w.mesh()) Sigma_w(om_) << 2 * G0w(om_ - nu);
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}
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}
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TRIQS_CATCH_AND_ABORT;
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}
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