mirror of
https://github.com/triqs/dft_tools
synced 2025-01-13 22:36:03 +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
86 lines
1.8 KiB
C++
86 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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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::H5File 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::H5File 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::H5File 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::H5File 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::H5File 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::H5File 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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