TRIQS/triqs_ctseg 4.0.0
A TRIQS application
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results.hpp
1// Copyright (c) 2022--present, The Simons Foundation
2// Copyright (c) 2022--present, Max Planck Institute for Polymer Research, Mainz, Germany
3// This file is part of TRIQS/ctseg and is licensed under the terms of GPLv3 or later.
4// SPDX-License-Identifier: GPL-3.0-or-later
5// See LICENSE in the root of this distribution for details.
6
7#pragma once
8#include <optional>
9#include <triqs/stat/histograms.hpp>
10#include <triqs/gfs.hpp>
11
12using namespace triqs::gfs;
13
14namespace triqs_ctseg {
15
17 struct results_t {
18
20 block_gf<imtime> G_tau;
21
23 std::optional<block_gf<imtime>> F_tau;
24
26 std::optional<block2_gf<imtime>> nn_tau;
27
29 std::optional<block2_gf<dlr_imfreq>> nn_nu_dlr;
30
32 std::optional<gf<imtime>> Sperp_tau;
33
35 std::optional<std::map<std::pair<std::string, std::string>, nda::matrix<double>>> nn_static;
36
38 std::optional<std::map<std::string, nda::array<double, 1>>> densities;
39
41 std::optional<std::vector<double>> pert_order_Delta;
42
44 std::optional<double> average_order_Delta;
45
47 std::optional<std::vector<double>> pert_order_Jperp;
48
50 std::optional<double> average_order_Jperp;
51
53 std::optional<nda::vector<double>> state_hist;
54
56 std::optional<block2_gf<prod<imfreq, imfreq>, tensor_valued<4>>> g2w;
57
59 std::optional<block2_gf<prod<imfreq, imfreq, imfreq>, tensor_valued<4>>> g3w;
60
63 };
64
66 void h5_write(h5::group h5group, std::string subgroup_name, results_t const &c);
67
69 void h5_read(h5::group h5group, std::string subgroup_name, results_t &c);
70
71} // namespace triqs_ctseg
Container for all results accumulated by the CTQMC simulation.
Definition results.hpp:17
std::optional< nda::vector< double > > state_hist
State histogram.
Definition results.hpp:53
std::optional< gf< imtime > > Sperp_tau
Perpendicular spin-spin correlation function .
Definition results.hpp:32
std::optional< block_gf< imtime > > F_tau
Self-energy improved estimator .
Definition results.hpp:23
std::optional< std::vector< double > > pert_order_Jperp
Jperp perturbation order histogram.
Definition results.hpp:47
std::optional< block2_gf< prod< imfreq, imfreq >, tensor_valued< 4 > > > g2w
Three-point correlation function.
Definition results.hpp:56
std::optional< std::map< std::pair< std::string, std::string >, nda::matrix< double > > > nn_static
Density-density static correlation function .
Definition results.hpp:35
std::optional< double > average_order_Delta
Average Delta perturbation order.
Definition results.hpp:44
std::optional< block2_gf< dlr_imfreq > > nn_nu_dlr
Density-density frequency correlation function .
Definition results.hpp:29
double average_sign
Average sign.
Definition results.hpp:62
std::optional< double > average_order_Jperp
Average Jperp perturbation order.
Definition results.hpp:50
std::optional< block2_gf< prod< imfreq, imfreq, imfreq >, tensor_valued< 4 > > > g3w
Four-point correlation function.
Definition results.hpp:59
std::optional< std::map< std::string, nda::array< double, 1 > > > densities
Density per color, organized by blocks.
Definition results.hpp:38
std::optional< std::vector< double > > pert_order_Delta
Delta perturbation order histogram.
Definition results.hpp:41
block_gf< imtime > G_tau
Single-particle Green's function .
Definition results.hpp:20
std::optional< block2_gf< imtime > > nn_tau
Density-density time correlation function .
Definition results.hpp:26