M_iw.hpp

// Copyright (c) 2017--present, The Simons Foundation
// This file is part of TRIQS/ctint and is licensed under the terms of GPLv3 or later.
// SPDX-License-Identifier: GPL-3.0-or-later
// See LICENSE in the root of this distribution for details.
 
#pragma once
#include "../qmc_config.hpp"
#include "../nfft_buf.hpp"
#include "../container_set.hpp"
 
namespace triqs_ctint::measures {

  struct M_iw {
 
    M_iw(params_t const &params_, qmc_config_t const &qmc_config_, container_set *results);
 
    // M_iw needs to be uncopyable due to nfft_buf_t
    M_iw(M_iw const &)            = delete;
    M_iw(M_iw &&)                 = default;
    ~M_iw()                       = default;
    M_iw &operator=(M_iw const &) = delete;
    M_iw &operator=(M_iw &&)      = delete;

    void accumulate(mc_weight_t sign);

    void collect_results(mpi::communicator const &comm);
 
    private:
    // Capture the parameters
    params_t const &params;
 
    // The Monte-Carlo configuration
    qmc_config_t const &qmc_config;
 
    // Container for the accumulation on DLR mesh
    g_dlr_iw_v_t M_iw_;
 
    // The average sign
    mc_weight_t Z = 0.0;
 
    // Matrix views for the Hartree term accumulation (equal-time contribution)
    std::vector<matrix_view<M_tau_scalar_t>> M_hartree_;
 
    // Intermediate data arrays for each block. M_data[bl](iw_idx, a, b)
    nda::array<nda::array<dcomplex, 3>, 1> M_data;
 
    // Target matsubara frequencies for type-3 NFFT
    std::vector<mesh::matsubara_freq> target_mf;
 
    // Container of nfft_buffers. buf_vec[block_idx](a,b)
    std::vector<array<nfft_buf_t<1>, 2>> buf_vec;
  };
 
} // namespace triqs_ctint::measures