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.
74 lines
2.9 KiB
C++
74 lines
2.9 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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namespace h5 = triqs::h5;
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using namespace triqs::arrays;
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#define TEST(X) std::cout << BOOST_PP_STRINGIZE((X)) << " ---> "<< (X) <<std::endl<<std::endl;
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double precision=10e-12;
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int main() {
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double beta =1;
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double tmax=10;
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double wmax=10;
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double it0=0.3352*beta;
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double t0=0.3352*tmax;
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double w0=0.3352*wmax;
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int N=1000;
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auto Gw = gf<refreq> {{-wmax, wmax, N},{2,2}};
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auto Gt = gf<retime> {{0, tmax, N}, {2,2}};
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auto Gw2 = gf<refreq,scalar_valued> {{-wmax, wmax, N}};
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auto Gt2 = gf<retime,scalar_valued> {{0, tmax, N}};
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auto Giw = gf<imfreq> {{beta, Fermion,N}, {2,2}};
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auto Git = gf<imtime> {{beta, Fermion,N}, {2,2}};
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auto Giw2 = gf<imfreq,scalar_valued> {{beta, Fermion, N}};
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auto Git2 = gf<imtime,scalar_valued> {{beta, Fermion, N}};
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for (auto & t : Gt.mesh()) Gt[t] = 1.0*t;
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for (auto & w : Gw.mesh()) Gw[w] = 1.0*w;
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for (auto & it : Git.mesh()) Git[it] = 1.0*it;
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for (auto & iw : Giw.mesh()) Giw[iw] = 1.0*iw;
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triqs::clef::placeholder<0> t_;
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triqs::clef::placeholder<1> w_;
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Gt2( t_) << 1.0*t_;
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Gw2( w_) << 1.0*w_;
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Git2( t_) << 1.0*t_;
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Giw2( w_) << 1.0*w_;
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std::cout << "Gt(t0)(0,0)=" << Gt(t0)(0,0) << std::endl;
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if ( std::abs(Gt(t0)(0,0)-t0) > precision) TRIQS_RUNTIME_ERROR<< "evaluator error in Gt\n";
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std::cout << "Gt2(t0)=" << Gt2(t0) << std::endl;
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if ( std::abs(Gt2(t0)-t0) > precision) TRIQS_RUNTIME_ERROR<< "evaluator error in Gt2\n";
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std::cout << "Gw(w0)(0,0)=" << Gw(w0)(0,0) << std::endl;
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if ( std::abs(Gw(w0)(0,0)-w0) > precision) TRIQS_RUNTIME_ERROR<< "evaluator error in Gw\n";
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std::cout << "Gw2(w0)=" << Gw2(w0) << std::endl;
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if ( std::abs(Gw2(w0)-w0) > precision) TRIQS_RUNTIME_ERROR<< "evaluator error in Gw2\n";
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std::cout << "Git(it0)(0,0)=" << Git(it0)(0,0) << std::endl;
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if ( std::abs(Git(it0)(0,0)-it0) > precision) TRIQS_RUNTIME_ERROR<< "evaluator error in Git\n";
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std::cout << "Git2(it0)=" << Git2(it0) << std::endl;
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if ( std::abs(Git2(it0)-it0) > precision) TRIQS_RUNTIME_ERROR<< "evaluator error in Git2\n";
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//verification of windowing for imaginary times outside from [0,beta]
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std::cout << "Git2(5*beta+it0)=" << Git2(it0+5*beta) << std::endl;
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if ( std::abs(Git2(1.3352*beta)+it0) > precision) TRIQS_RUNTIME_ERROR<< "evaluator error in Git3\n";
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std::cout << "Git2(it0-beta)=" << Git2(it0-beta) << std::endl;
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if ( std::abs(Git2(it0-beta)+it0) > precision) TRIQS_RUNTIME_ERROR<< "evaluator error in Git3\n";
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if ( std::abs(Gw2.on_mesh(N/3) -Gw2[N/3] ) > precision) TRIQS_RUNTIME_ERROR<< "error in on_mesh()\n";
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if ( std::abs(Gt2.on_mesh(N/3) -Gt2[N/3] ) > precision) TRIQS_RUNTIME_ERROR<< "error in on_mesh()\n";
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if ( std::abs(Git2.on_mesh(N/3)-Git2[N/3]) > precision) TRIQS_RUNTIME_ERROR<< "error in on_mesh()\n";
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// test hdf5
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h5::file file("ess_gfre.h5", H5F_ACC_TRUNC );
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h5_write(file, "gt", Gt);
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h5_write(file, "gw", Gw);
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h5_write(file, "git", Git);
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h5_write(file, "giw", Giw);
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}
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