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dft_tools/triqs/gfs/local/legendre_matsubara.cpp
Olivier Parcollet 39edb2f846 [API change] gf : factories -> constructors
- 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
2013-10-21 15:11:44 +02:00

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3.8 KiB
C++

/*******************************************************************************
*
* TRIQS: a Toolbox for Research in Interacting Quantum Systems
*
* Copyright (C) 2011 by L. Boehnke, M. Ferrero, O. Parcollet
*
* TRIQS is free software: you can redistribute it and/or modify it under the
* terms of the GNU General Public License as published by the Free Software
* Foundation, either version 3 of the License, or (at your option) any later
* version.
*
* TRIQS is distributed in the hope that it will be useful, but WITHOUT ANY
* WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
* FOR A PARTICULAR PURPOSE. See the GNU General Public License for more
* details.
*
* You should have received a copy of the GNU General Public License along with
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
*
******************************************************************************/
#include "legendre_matsubara.hpp"
#include "fourier_matsubara.hpp"
#include "functions.hpp"
#include <triqs/utility/legendre.hpp>
using namespace triqs::utility;
namespace triqs { namespace gfs {
void legendre_matsubara_direct(gf_view<imfreq> & gw, gf_view<legendre> const & gl) {
gw() = 0.0;
triqs::arrays::range R;
// Use the transformation matrix
for (auto om: gw.mesh()) {
for (auto l: gl.mesh()) {
gw[om] += legendre_T(om.index(),l.index()) * gl[l];
}
}
gw.singularity() = get_tail(gl, gw.singularity().size(), gw.singularity().order_min());
}
void legendre_matsubara_inverse (gf_view<legendre> & gl, gf_view<imfreq> const & gw) {
gl() = 0.0;
// Construct a temporary imaginary-time Green's function gt
// I set Nt time bins. This is ugly, one day we must code the direct
// transformation without going through imaginary time
int Nt = 50000;
auto gt = gf<imtime>{ {gw.domain(),Nt, half_bins}, gw.data().shape().front_pop() };
// We first transform to imaginary time because it's been coded with the knowledge of the tails
gt() = lazy_inverse_fourier(gw);
legendre_matsubara_inverse(gl, gt());
}
void legendre_matsubara_direct (gf_view<imtime> & gt, gf_view<legendre> const & gl) {
gt() = 0.0;
legendre_generator L;
for (auto t : gt.mesh()) {
L.reset( 2*t/gt.domain().beta-1 );
for (auto l : gl.mesh()) {
gt[t] += sqrt(2*l.index()+1) / gt.domain().beta * gl[l] * L.next();
}
}
gt.singularity() = get_tail(gl, gt.singularity().size(), gt.singularity().order_min());
}
void legendre_matsubara_inverse (gf_view<legendre> & gl, gf_view<imtime> const & gt) {
gl() = 0.0;
legendre_generator L;
// Do the integral over imaginary time
for (auto t : gt.mesh()) {
L.reset( 2*t/gt.domain().beta-1 );
for (auto l : gl.mesh()) {
gl[l] += sqrt(2*l.index()+1) * L.next() * gt[t];
}
}
gl.data() *= gt.mesh().delta();
}
gf_keeper<tags::legendre,legendre> lazy_legendre_imfreq (gf_view<legendre> const & gl) { return gl; }
gf_keeper<tags::legendre,legendre> lazy_legendre_imtime (gf_view<legendre> const & gl) { return gl; }
gf_keeper<tags::legendre,imfreq> lazy_imfreq_legendre (gf_view<imfreq> const & gw) { return gw; }
gf_keeper<tags::legendre,imtime> lazy_imtime_legendre (gf_view<imtime> const & gt) { return gt; }
void triqs_gf_view_assign_delegation( gf_view<imfreq> &gw, gf_keeper<tags::legendre,legendre> const & L) {
legendre_matsubara_direct(gw, L.g);
}
void triqs_gf_view_assign_delegation( gf_view<imtime> &gt, gf_keeper<tags::legendre,legendre> const & L) {
legendre_matsubara_direct(gt, L.g);
}
void triqs_gf_view_assign_delegation( gf_view<legendre> &gl, gf_keeper<tags::legendre,imfreq> const & L) {
legendre_matsubara_inverse(gl, L.g);
}
void triqs_gf_view_assign_delegation( gf_view<legendre> &gl, gf_keeper<tags::legendre,imtime> const & L) {
legendre_matsubara_inverse(gl, L.g);
}
}}