mirror of
https://github.com/triqs/dft_tools
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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
92 lines
3.5 KiB
C++
92 lines
3.5 KiB
C++
/*******************************************************************************
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*
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* TRIQS: a Toolbox for Research in Interacting Quantum Systems
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*
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* Copyright (C) 2012 by M. Ferrero, O. Parcollet
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*
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* TRIQS is free software: you can redistribute it and/or modify it under the
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* terms of the GNU General Public License as published by the Free Software
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* Foundation, either version 3 of the License, or (at your option) any later
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* version.
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*
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* TRIQS is distributed in the hope that it will be useful, but WITHOUT ANY
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* WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
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* FOR A PARTICULAR PURPOSE. See the GNU General Public License for more
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* details.
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*
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* You should have received a copy of the GNU General Public License along with
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* TRIQS. If not, see <http://www.gnu.org/licenses/>.
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*
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******************************************************************************/
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#ifndef TRIQS_GF_RE_IM_FREQ_H
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#define TRIQS_GF_RE_IM_FREQ_H
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#include "./tools.hpp"
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#include "./gf.hpp"
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#include "./refreq.hpp"
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#include "./imfreq.hpp"
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#include "./meshes/product.hpp"
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namespace triqs { namespace gfs {
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struct re_im_freq {};
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// the mesh
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template<typename Opt> struct gf_mesh<re_im_freq,Opt> : mesh_product<gf_mesh<refreq,Opt>,gf_mesh<imfreq,Opt>> {
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typedef gf_mesh<refreq,Opt> m1_t;
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typedef gf_mesh<imfreq,Opt> m2_t;
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typedef mesh_product<m1_t,m2_t> B;
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gf_mesh () = default;
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gf_mesh (double wmin, double wmax, int n_freq_re, double beta, statistic_enum S, int n_freq_im) :
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B { gf_mesh<refreq,Opt>(wmin,wmax,n_freq_re,full_bins), gf_mesh<imfreq,Opt>(beta, S, n_freq_im)} {}
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};
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namespace gfs_implementation {
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// singularity
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template<typename Opt> struct singularity<re_im_freq,scalar_valued,Opt> { typedef gf<refreq,scalar_valued> type;};
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// h5 name
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template<typename Opt> struct h5_name<re_im_freq,scalar_valued,Opt> { static std::string invoke(){ return "GfReImFreq";}};
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/// --------------------------- data access ---------------------------------
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template<typename Opt> struct data_proxy<re_im_freq,scalar_valued,Opt> : data_proxy_array<std::complex<double>,1> {};
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/// --------------------------- evaluator ---------------------------------
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template<typename Opt>
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struct evaluator<re_im_freq,scalar_valued,Opt> {
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static constexpr int arity = 2;
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template<typename G>
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std::complex<double> operator() (G const * g, double w, long n) const {
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auto & data = g->data();
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auto & mesh = g->mesh();
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int nr; double wr; bool in;
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std::tie(in, nr, wr) = windowing( std::get<0>(g->mesh().components()), w);
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if (!in) TRIQS_RUNTIME_ERROR <<" Evaluation out of bounds";
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auto gg = [g,data,mesh]( int nr, int n) {return data(mesh.index_to_linear(std::tuple<int,int>{nr,n}));};
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return wr * gg(nr,n) + (1-wr) * gg(nr+1,n) ;
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}
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};
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// ------------------------------- Factories --------------------------------------------------
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template<typename Opt> struct factories<re_im_freq, scalar_valued,Opt> {
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typedef gf<re_im_freq, scalar_valued,Opt> gf_t;
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struct target_shape_t {};
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// typedef typename gf_mesh<re_im_freq, Opt>::type mesh_t;
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static gf_t make_gf(double wmin, double wmax, int nw, double beta, statistic_enum S, int nwn) {
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auto m = gf_mesh<re_im_freq,Opt>(wmin, wmax, nw, beta, S, nwn);
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typename gf_t::data_regular_t A(m.size());
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A() =0;
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return gf_t (m, std::move(A), gf<refreq,scalar_valued>({wmin, wmax, nw}), nothing() ) ;
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}
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};
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} // gfs_implementation
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}}
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#endif
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