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
84 lines
3.5 KiB
C++
84 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_MATSUBARA_FREQ_H
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#define TRIQS_GF_MATSUBARA_FREQ_H
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#include "./tools.hpp"
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#include "./gf.hpp"
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#include "./local/tail.hpp"
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#include "./domains/matsubara.hpp"
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#include "./meshes/linear.hpp"
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#include "./evaluators.hpp"
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namespace triqs { namespace gfs {
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struct imfreq {};
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template<typename Opt> struct gf_mesh<imfreq,Opt> : linear_mesh<matsubara_domain<true>> {
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typedef linear_mesh<matsubara_domain<true>> B;
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static double m1(double beta) { return std::acos(-1)/beta;}
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gf_mesh() = default;
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gf_mesh (typename B::domain_t const & d, int Nmax = 1025) :
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B(d, d.statistic==Fermion?m1(d.beta):0, d.statistic==Fermion?(2*Nmax+1)*m1(d.beta): 2*Nmax*m1(d.beta), Nmax, without_last){}
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// use delegating...
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gf_mesh (double beta, statistic_enum S, int Nmax = 1025) :
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//gf_mesh({beta,S}, Nmax){}
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B(typename B::domain_t(beta,S), S==Fermion?m1(beta):0, S==Fermion?(2*Nmax+1)*m1(beta): 2*Nmax*m1(beta), Nmax, without_last){}
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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<imfreq,matrix_valued,Opt> { typedef local::tail type;};
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template<typename Opt> struct singularity<imfreq,scalar_valued,Opt> { typedef local::tail type;};
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//h5 name
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template<typename Opt> struct h5_name<imfreq,matrix_valued,Opt> { static std::string invoke(){ return "ImFreq";}};
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/// --------------------------- evaluator ---------------------------------
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template<> struct evaluator_fnt_on_mesh<imfreq> TRIQS_INHERIT_AND_FORWARD_CONSTRUCTOR(evaluator_fnt_on_mesh, evaluator_grid_simple);
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template<typename Opt, typename Target>
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struct evaluator<imfreq,Target,Opt> { // factorize and template on the long instead of double ?
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public :
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static constexpr int arity = 1;
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template<typename G>
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auto operator()(G const * g, int n)
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//const DECL_AND_RETURN(g->data()(n, arrays::ellipsis()));
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// hidden bug : should not need the ().... to investigate
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const DECL_AND_RETURN((*g)[n]());
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template<typename G>
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auto operator() (G const * g, linear_mesh<matsubara_domain<true>>::mesh_point_t const & p)
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const DECL_AND_RETURN((*g)[p.index()]());
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template<typename G>
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typename G::singularity_t const & operator()(G const * g,freq_infty const &) const {return g->singularity();}
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};
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/// --------------------------- data access ---------------------------------
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template<typename Opt> struct data_proxy<imfreq,matrix_valued,Opt> : data_proxy_array<std::complex<double>,3> {};
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template<typename Opt> struct data_proxy<imfreq,scalar_valued,Opt> : data_proxy_array<std::complex<double>,1> {};
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} // gfs_implementation
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}}
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#endif
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