mirror of
https://github.com/triqs/dft_tools
synced 2024-12-26 06:14:14 +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
117 lines
3.8 KiB
C++
117 lines
3.8 KiB
C++
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/*******************************************************************************
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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) 2011 by L. Boehnke, 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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#include "legendre_matsubara.hpp"
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#include "fourier_matsubara.hpp"
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#include "functions.hpp"
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#include <triqs/utility/legendre.hpp>
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using namespace triqs::utility;
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namespace triqs { namespace gfs {
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void legendre_matsubara_direct(gf_view<imfreq> & gw, gf_view<legendre> const & gl) {
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gw() = 0.0;
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triqs::arrays::range R;
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// Use the transformation matrix
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for (auto om: gw.mesh()) {
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for (auto l: gl.mesh()) {
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gw[om] += legendre_T(om.index(),l.index()) * gl[l];
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}
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}
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gw.singularity() = get_tail(gl, gw.singularity().size(), gw.singularity().order_min());
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}
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void legendre_matsubara_inverse (gf_view<legendre> & gl, gf_view<imfreq> const & gw) {
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gl() = 0.0;
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// Construct a temporary imaginary-time Green's function gt
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// I set Nt time bins. This is ugly, one day we must code the direct
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// transformation without going through imaginary time
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int Nt = 50000;
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auto gt = gf<imtime>{ {gw.domain(),Nt, half_bins}, gw.data().shape().front_pop() };
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// We first transform to imaginary time because it's been coded with the knowledge of the tails
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gt() = lazy_inverse_fourier(gw);
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legendre_matsubara_inverse(gl, gt());
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}
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void legendre_matsubara_direct (gf_view<imtime> & gt, gf_view<legendre> const & gl) {
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gt() = 0.0;
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legendre_generator L;
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for (auto t : gt.mesh()) {
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L.reset( 2*t/gt.domain().beta-1 );
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for (auto l : gl.mesh()) {
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gt[t] += sqrt(2*l.index()+1) / gt.domain().beta * gl[l] * L.next();
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}
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}
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gt.singularity() = get_tail(gl, gt.singularity().size(), gt.singularity().order_min());
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}
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void legendre_matsubara_inverse (gf_view<legendre> & gl, gf_view<imtime> const & gt) {
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gl() = 0.0;
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legendre_generator L;
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// Do the integral over imaginary time
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for (auto t : gt.mesh()) {
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L.reset( 2*t/gt.domain().beta-1 );
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for (auto l : gl.mesh()) {
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gl[l] += sqrt(2*l.index()+1) * L.next() * gt[t];
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}
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}
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gl.data() *= gt.mesh().delta();
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}
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gf_keeper<tags::legendre,legendre> lazy_legendre_imfreq (gf_view<legendre> const & gl) { return gl; }
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gf_keeper<tags::legendre,legendre> lazy_legendre_imtime (gf_view<legendre> const & gl) { return gl; }
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gf_keeper<tags::legendre,imfreq> lazy_imfreq_legendre (gf_view<imfreq> const & gw) { return gw; }
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gf_keeper<tags::legendre,imtime> lazy_imtime_legendre (gf_view<imtime> const & gt) { return gt; }
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void triqs_gf_view_assign_delegation( gf_view<imfreq> &gw, gf_keeper<tags::legendre,legendre> const & L) {
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legendre_matsubara_direct(gw, L.g);
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}
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void triqs_gf_view_assign_delegation( gf_view<imtime> >, gf_keeper<tags::legendre,legendre> const & L) {
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legendre_matsubara_direct(gt, L.g);
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}
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void triqs_gf_view_assign_delegation( gf_view<legendre> &gl, gf_keeper<tags::legendre,imfreq> const & L) {
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legendre_matsubara_inverse(gl, L.g);
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}
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void triqs_gf_view_assign_delegation( gf_view<legendre> &gl, gf_keeper<tags::legendre,imtime> const & L) {
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legendre_matsubara_inverse(gl, L.g);
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}
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}}
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