Source code for triqs.operators.util.op_struct

# Copyright (c) 2015-2018 Commissariat à l'énergie atomique et aux énergies alternatives (CEA)
# Copyright (c) 2015-2018 Centre national de la recherche scientifique (CNRS)
# Copyright (c) 2018 Simons Foundation
# This program 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.
# This program is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# GNU General Public License for more details.
# You may obtain a copy of the License at
# Authors: Michel Ferrero, Priyanka Seth, Nils Wentzell

from itertools import product

# Set function to make index for GF blocks given spin sn and orbital name on
[docs] def get_mkind(off_diag,map_operator_structure): r""" Set function that makes the index for operators and GF blocks for a given spin and orbital name. Parameters ---------- off_diag : boolean Do we have (orbital) off-diagonal elements? If yes, the operators and blocks are denoted by ('spin', 'orbital'), otherwise by ('spin_orbital',0). map_operator_structure : dict Mapping of names of GF blocks names from one convention to another, e.g. {('up', 0): ('up_0', 0), ('down', 0): ('down_0',0)}. If provided, the operators and blocks are denoted by the mapping of ``('spin', 'orbital')``. Returns ------- mkind : lambda The function mapping spin and orbital names to a tuple. """ if (off_diag is None) and (map_operator_structure is None): raise ValueError("hamiltonians: provide either off_diag or map_operator_structure.") if map_operator_structure is None: if off_diag: mkind = lambda sn, on: (sn, on) else: mkind = lambda sn, on: (sn+'_%s'%on, 0) else: mkind = lambda sn, on: map_operator_structure[(sn,on)] return mkind
# Set block structure of GF
[docs] def set_operator_structure(spin_names,n_orb,off_diag): r""" Set the operator_structure for given spin and orbital names, according to whether or not the Green's functions contain off-diagonal blocks. Parameters ---------- spin_names : list of strings Names of the spins, e.g. ['up','down']. n_orb : int Number of orbitals. off_diag : boolean Do we have (orbital) off-diagonal elements? If yes, the operators and blocks are denoted by ('spin', 'orbital'), otherwise by ('spin_orbital',0). Returns ------- op_struct : list The structure of the operators [block:[inner], ... ]. """ if isinstance(n_orb, list): import warnings warnings.warn("set_operator_structure takes as a second argument the number of orbitals, not a list of orbital names") n_orb = len(n_orb) op_struct = [] if off_diag: # outer blocks are spin blocks for sn in spin_names: op_struct.append([sn, n_orb]) else: # outer blocks are spin-orbital blocks for sn, on in product(spin_names,range(n_orb)): op_struct.append([sn+'_%s'%on, 1]) return op_struct