mirror of
https://github.com/triqs/dft_tools
synced 2024-11-01 03:33:50 +01:00
39edb2f846
- Make more general constructors for the gf.
gf( mesh, target_shape_t)
- remove the old make_gf for the basic gf.
- 2 var non generic gf removed.
- clean evaluator
- add tensor_valued
- add a simple vertex test.
- clean specialisation
- Fix bug introduced in 1906dc3
- forgot to resize the gf in new version of operator =
- Fix make_singularity in gf.hpp
- clean resize in operator =
- update h5 read/write for block gf
- changed a bit the general trait to save *all* the gf.
- allows a more general specialization, then a correct for blocks
- NOT FINISHED : need to save the block indice for python.
How to reread ?
Currently it read the blocks names and reconstitute the mesh from it.
Is it sufficient ?
- clean block constructors
- block constructors simplest possible : an int for the number of blocks
- rest in free factories.
- fixed the generic constructor from GfType for the regular type :
only enable iif GfType is ImmutableGreenFunction
- multivar. fix linear index in C, and h5 format
- linear index now correctly flatten in C mode
(was in fortran mode), using a simple reverse of the tuple in the folding.
- fix the h5 read write of the multivar fonctions
in order to write an array on dimension # variables + dim_target
i.e. without flattening the indices of the meshes.
Easier for later data analysis, e.g. in Python.
- merge matrix/tensor_valued. improve factories
- matrix_valued now = tensor_valued<2>
(simplifies generic code for h5).
- factories_one_var -> factories : this is the generic case ...
only a few specialization, code is simpler.
- clef expression call with rvalue for *this
- generalize matrix_proxy to tensor and clean
- clean exception catch in tests
- exception catching catch in need in test
because the silly OS X does not print anything, just "exception occurred".
Very convenient for the developer...
- BUT, one MUST add return 1, or the make test will *pass* !!
- --> systematically replace the catch by a macro TRIQS_CATCH_AND_ABORT
which return a non zero error code.
- exception : curry_and_fourier which does not work at this stage
(mesh incompatible).
- gf: clean draft of gf 2 times
- comment the python interface for the moment.
- rm useless tests
65 lines
2.7 KiB
C++
65 lines
2.7 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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#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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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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int i =0;
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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(0.3352*tmax)(0,0)=" << Gt(0.3352*tmax)(0,0) << std::endl;
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if ( std::abs(Gt(0.3352*tmax)(0,0)-0.3352*tmax) > precision) TRIQS_RUNTIME_ERROR<< "evaluator error in Gt\n";
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std::cout << "Gt2(0.3352*tmax)=" << Gt2(0.3352*tmax) << std::endl;
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if ( std::abs(Gt2(0.3352*tmax)-0.3352*tmax) > precision) TRIQS_RUNTIME_ERROR<< "evaluator error in Gt2\n";
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std::cout << "Gw(0.3352*wmax)(0,0)=" << Gw(0.3352*wmax)(0,0) << std::endl;
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if ( std::abs(Gw(0.3352*wmax)(0,0)-0.3352*wmax) > precision) TRIQS_RUNTIME_ERROR<< "evaluator error in Gw\n";
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std::cout << "Gw2(0.3352*wmax)=" << Gw2(0.3352*wmax) << std::endl;
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if ( std::abs(Gw2(0.3352*wmax)-0.3352*wmax) > precision) TRIQS_RUNTIME_ERROR<< "evaluator error in Gw2\n";
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std::cout << "Git(0.3352*beta)(0,0)=" << Git(0.3352*beta)(0,0) << std::endl;
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if ( std::abs(Git(0.3352*beta)(0,0)-0.3352*beta) > precision) TRIQS_RUNTIME_ERROR<< "evaluator error in Git\n";
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std::cout << "Git2(0.3352*beta)=" << Git2(0.3352*beta) << std::endl;
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if ( std::abs(Git2(0.3352*beta)-0.3352*beta) > precision) TRIQS_RUNTIME_ERROR<< "evaluator error in Git2\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::H5File 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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