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
111 lines
4.5 KiB
C++
111 lines
4.5 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_IMTIME_REFREQ_TIMES_H
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#define TRIQS_GF_IMTIME_REFREQ_TIMES_H
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#include "./tools.hpp"
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#include "./gf.hpp"
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#include "./imtime.hpp"
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#include "./refreq.hpp"
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#include "./meshes/product.hpp"
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namespace triqs { namespace gfs {
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struct refreq_imtime {};
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// the mesh
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template<typename Opt> struct gf_mesh<refreq_imtime,Opt> :mesh_product<gf_mesh<refreq,Opt>,gf_mesh<imtime,Opt>> {
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typedef gf_mesh<refreq,Opt> m1_t;
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typedef gf_mesh<imtime,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(B const & x) : B(x) {}
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gf_mesh (double wmin, double wmax, size_t n_freq, double beta, statistic_enum S, size_t nt, mesh_kind mk=full_bins ) :
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B {gf_mesh<refreq,Opt>(wmin,wmax,n_freq), gf_mesh<imtime,Opt>(beta,S,nt,mk)} {}
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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<refreq_imtime,scalar_valued,Opt> { typedef gf<retime,scalar_valued> type;};
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// h5 name
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template<typename Opt> struct h5_name<refreq_imtime,scalar_valued,Opt> { static std::string invoke(){ return "GfReFreqImTime";}};
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/// --------------------------- data access ---------------------------------
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template<typename Opt> struct data_proxy<refreq_imtime,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<refreq_imtime,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 omega, double tau) const {
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double beta = std::get<1>(g->mesh().components()).domain().beta;
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int p = std::floor(tau/beta);
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tau -= p*beta;
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size_t n1,n2; double w1,w2; bool in;
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std::tie(in, n1, w1) = windowing( std::get<0>(g->mesh().components()),omega);
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if (!in) TRIQS_RUNTIME_ERROR <<" Evaluation out of bounds";
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std::tie(in, n2, w2) = windowing( std::get<1>(g->mesh().components()),tau);
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if (!in) TRIQS_RUNTIME_ERROR <<" Evaluation out of bounds";
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auto gg = on_mesh(*g); //[g]( size_t n1, size_t n2) {return g->on_mesh(n1,n2);};
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auto res = w1 *( w2*gg(n1,n2) + (1-w2)*gg(n1,n2+1)) + (1-w1) * ( w2*gg(n1+1,n2) + (1-w2)*gg(n1+1,n2+1));
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//std::cout << "eval reref imtim"<< n1 << " "<< n2 << " "<< w1 << " " << w2 << " "<< omega << " "<< tau<< std::endl;
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return ((std::get<1>(g->mesh().components()).domain().statistic == Fermion) && (p%2==1) ? -res : res);
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}
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};
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// ------------------------------- Factories --------------------------------------------------
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template<typename Opt> struct factories<refreq_imtime, scalar_valued,Opt> {
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typedef gf<refreq_imtime, scalar_valued,Opt> gf_t;
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struct target_shape_t {};
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template<typename MeshType>
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static gf_t make_gf(MeshType && m) {
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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), nothing(), nothing() ) ;
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}
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static gf_t make_gf(double wmin, double wmax, size_t n_freq, double beta, statistic_enum S, size_t nt, mesh_kind mk=full_bins) {
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auto m = gf_mesh<refreq_imtime,Opt>(wmin, wmax, n_freq, beta,S, nt, mk);
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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), nothing(), nothing() ) ;
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}
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};
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} // gfs_implementation
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//slices
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inline gf_view<refreq,scalar_valued> slice_mesh_imtime (gf_view<refreq_imtime,scalar_valued> g, size_t index) {
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auto arr = reinterpret_linear_array(g.mesh(),g.data()); // view it as a 2d array
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return { std::get<0>(g.mesh().components()), arr(arrays::range(),index), local::tail(1,1), nothing() };
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}
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}}
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#endif
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