work_data.hpp

// Copyright (c) 2022--present, The Simons Foundation
// Copyright (c) 2022--present, Max Planck Institute for Polymer Research, Mainz, Germany
// This file is part of TRIQS/ctseg 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 <mpi/mpi.hpp>
#include <triqs/mc_tools/random_generator.hpp>
#include <triqs/det_manip.hpp>
 
#include "params.hpp"
#include "inputs.hpp"
#include "util.hpp"
#include "dets.hpp"
 
namespace triqs_ctseg {
 
  struct work_data_t {
 
    work_data_t(params_t const &p, inputs_t const &inputs, mpi::communicator c);
 
    nda::matrix<double> U;  // Density-density interaction: U_ab n_a n_b
    gf_struct_t gf_struct;  // gf_struct of the Green's function (input copied)
    int n_color;            // Number of colors
    nda::vector<double> mu; // Chemical potential per color
 
    bool has_Delta     = false; // There is a non-zero hybridization term
    bool has_Dt        = false; // There is a non-zero dynamical nn interaction
    bool has_Jperp     = false; // There is a non-zero Jperp interaction
    bool rot_inv       = true;  // The spin-spin interaction is rotationally invariant (matters for F(tau) measure)
    bool minus_sign    = false; // Has a move ever produced a negative sign?
    bool offdiag_Delta = false; // Does Delta(tau) have blocks of size larger than 1?
 
    // Dynamical and spin-spin interaction kernels
    gf<imtime> D0t, K, Kprime, Jperp, Kprime_spin;
 
    // Hybridization function
    block_gf<imtime, matrix_real_valued> Delta;
 
    // The determinants
    // Vector of the det_manip objects, one per block of the input Delta(tau). See dets.hpp
    std::vector<det_t> dets;
 
    // Color to (block, idx) conversion tables
    std::vector<long> block_number;   // block numbers corresponding to colors
    std::vector<long> index_in_block; // index in block of a given color
 
    // Find color corresponding to (block, idx)
    int block_to_color(int block, int idx) const;
 
    // Find block of color
    long find_block_number(int color) const;
 
    // Find index of color in its block
    long find_index_in_block(int color) const;
  };
 
  // Additional sign of the trace (computed from dets).
  double trace_sign(work_data_t const &wdata);
 
  // Functions for checking if a time is already in det.
  bool c_in_det(tau_t const &tau, det_t const &D);
 
  bool cdag_in_det(tau_t const &tau, det_t const &D);
 
} // namespace triqs_ctseg