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
140 lines
5.8 KiB
C++
140 lines
5.8 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_TWO_TIMES_H
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#define TRIQS_GF_TWO_TIMES_H
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#include "./tools.hpp"
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#include "./gf.hpp"
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#include "./retime.hpp"
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#include "./meshes/product.hpp"
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namespace triqs { namespace gfs {
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struct two_real_times {};
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// the mesh
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template<typename Opt> struct gf_mesh<two_real_times,Opt> :mesh_product<gf_mesh<retime,Opt> ,gf_mesh<retime,Opt> > {
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typedef mesh_product<gf_mesh<retime,Opt> ,gf_mesh<retime,Opt> > B;
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gf_mesh() = default;
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gf_mesh (double tmax, double n_time_slices) :
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B(gf_mesh<retime,Opt> ( 0, tmax,n_time_slices, full_bins),
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gf_mesh<retime,Opt> ( 0, tmax,n_time_slices, full_bins) ) {}
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};
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namespace gfs_implementation {
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/// --------------------------- closest mesh point on the grid ---------------------------------
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template<typename Opt>
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struct get_closest_point <two_real_times,matrix_valued,Opt> {
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typedef typename gf_mesh<two_real_times, Opt>::type mesh_t;
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// // NOT FINISHED, NOT TESTED
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// template<typename G, typename T>
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// static typename mesh_t::index_t invoke(G const * g, closest_pt_wrap<T,T> const & p) {
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// return std::floor( double(p.value) / g->mesh().delta() + 0.5);
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// }
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};
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// h5 name
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template<typename Opt> struct h5_name<two_real_times,matrix_valued,Opt> { static std::string invoke(){ return "GfTwoRealTime";}};
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template<typename Opt> struct h5_name<two_real_times,scalar_valued,Opt> { static std::string invoke(){ return "GfTwoRealTime_s";}};
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/// --------------------------- evaluator ---------------------------------
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template<typename Opt, typename Target>
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struct evaluator<two_real_times,Target,Opt> {
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static constexpr int arity = 2;
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typedef typename std::conditional < std::is_same<Target, matrix_valued>::value, arrays::matrix<std::complex<double>>, std::complex<double>>::type rtype;
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template<typename G>
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rtype operator() (G const * g, double t0, double t1) const {
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int n0,n1; double w0,w1; bool in;
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std::tie(in, n0, w0) = windowing(std::get<0>(g->mesh().components()),t0);
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if (!in) TRIQS_RUNTIME_ERROR <<" Evaluation out of bounds";
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std::tie(in, n1, w1) = windowing(std::get<1>(g->mesh().components()),t1);
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if (!in) TRIQS_RUNTIME_ERROR <<" Evaluation out of bounds";
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auto gg = on_mesh(*g);
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return (1-w0) * ( (1-w1) * gg(n0, n1) + w1 * gg(n0, n1+1) ) + w0 * ( (1-w1) * gg(n0+1, n1) + w1 * gg(n0+1, n1+1));
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}
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};
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/// --------------------------- data access ---------------------------------
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template<typename Opt> struct data_proxy<two_real_times,matrix_valued,Opt> : data_proxy_array<std::complex<double>,3> {};
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template<typename Opt> struct data_proxy<two_real_times,scalar_valued,Opt> : data_proxy_array<std::complex<double>,1> {};
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// ------------------------------- Factories --------------------------------------------------
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//matrix_valued
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template<typename Opt> struct factories<two_real_times, matrix_valued,Opt> {
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typedef gf<two_real_times, matrix_valued,Opt> gf_t;
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typedef gf_mesh<two_real_times, Opt> mesh_t;
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typedef tqa::mini_vector<int,2> target_shape_t;
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static gf_t make_gf(double tmax, double n_time_slices, tqa::mini_vector<int,2> shape) {
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auto m = gf_mesh<two_real_times,Opt>(tmax, n_time_slices);
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typename gf_t::data_regular_t A(shape.front_append(m.size())); 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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//scalar_valued
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template<typename Opt> struct factories<two_real_times, scalar_valued,Opt> {
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typedef gf<two_real_times, scalar_valued,Opt> gf_t;
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typedef gf_mesh<two_real_times, Opt> mesh_t;
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struct target_shape_t {};
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static gf_t make_gf(double tmax, double n_time_slices) {
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auto m = gf_mesh<two_real_times,Opt>(tmax, n_time_slices);
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typename gf_t::data_regular_t A(m.size()); 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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// ------------------------------- Additionnal free function for this gf --------------------------------------------------
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// from g(t,t') and t, return g(t-t') for any t'>t
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//
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inline gf<retime> slice (gf_view<two_real_times> const & g, double t) {
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auto const & m = std::get<0> (g.mesh().components()); //one-time mesh
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int it = get_closest_mesh_pt_index(m, t); //index of t on this mesh
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int nt = m.size() - it;
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if (it+1 < nt) nt = it+1 ; //nt=length of the resulting GF's mesh
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double dt = m.delta();
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auto res = gf<retime>{{0, 2*(nt-1)*dt, nt}, g(t,t).shape()};
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res() = 0;
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auto _ = arrays::range();// everyone
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for(int sh=0; sh<nt; sh++){
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res.data()(sh,_,_) = g.data()(g.mesh().index_to_linear(std::make_tuple( it+sh, it-sh) ),_,_);
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}
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return res;
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}
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// Get the 1 time mesh from the 2 times cartesian product (for cython interface mainly)
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template<typename M>
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auto get_1d_mesh_from_2times_mesh(M const & m) DECL_AND_RETURN(std::get<0>(m.components()));
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}}
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#endif
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