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dft_tools/test/triqs/gfs/test_fourier_matsubara.cpp

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[API change] gf : factories -> constructors - 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
2013-10-16 23:55:26 +02:00
#define TRIQS_ARRAYS_ENFORCE_BOUNDCHECK
#include <triqs/gfs.hpp>
using namespace triqs::gfs;
using namespace triqs::arrays;
namespace h5 = triqs::h5;
#define TEST(X) std::cout << BOOST_PP_STRINGIZE((X)) << " ---> "<< (X) <<std::endl<<std::endl;
[API change] gf : factories -> constructors - 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
2013-10-16 23:55:26 +02:00
#include <triqs/gfs/local/fourier_matsubara.hpp>
int main() {
double precision=10e-9;
h5::file file("test_fourier_matsubara.h5",H5F_ACC_TRUNC);
triqs::clef::placeholder<0> om_;
double beta =1;
int N=10000;
double E=1;
[API change] gf : factories -> constructors - 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
2013-10-16 23:55:26 +02:00
auto Gw1 = gf<imfreq> {{beta, Fermion, N}, {1,1}};
Gw1(om_) << 1/(om_-E);
h5_write(file, "Gw1", Gw1); // the original lorentzian
[API change] gf : factories -> constructors - 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
2013-10-16 23:55:26 +02:00
auto Gt1 = gf<imtime> {{beta, Fermion, N}, {1,1}};
Gt1() = inverse_fourier(Gw1);
h5_write(file, "Gt1", Gt1); // the lorentzian TF : lorentzian_inverse
///verification that TF(TF^-1)=Id
[API change] gf : factories -> constructors - 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
2013-10-16 23:55:26 +02:00
auto Gw1b = gf<imfreq> {{beta, Fermion, N}, {1,1}};
Gw1b() = fourier(Gt1);
for(auto const& w:Gw1.mesh()){
if ( std::abs(Gw1b[w](0,0)-Gw1[w](0,0)) > precision) TRIQS_RUNTIME_ERROR<<" fourier_matsubara error : w="<<std::complex<double>(w)<<" ,Gw1b="<<std::abs(Gw1b[w](0,0))<<"\n";
}
h5_write(file,"Gw1b",Gw1b); // must be 0
///verification that the TF is OK
for(auto const & t:Gt1.mesh()){
Gt1[t]-= exp(-E*t) * ( (t>0?-1:0)+1/(1+exp(E*beta)) );
if ( std::abs(Gt1[t](0,0)) > precision) TRIQS_RUNTIME_ERROR<<" fourier_matsubara error : t="<<t<<" ,G1="<<std::abs(Gt1[t](0,0))<<"\n";
}
h5_write(file,"Gt1b",Gt1); // must be 0
///to verify that fourier computes
[API change] gf : factories -> constructors - 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
2013-10-16 23:55:26 +02:00
auto Gw2 = gf<imfreq> {{beta, Fermion}, {1,1}};
Gw2() = fourier(Gt1);
}