From abf70b6ead1f406a2e226ae5aadcb1e4ed6596ea Mon Sep 17 00:00:00 2001 From: hschnait Date: Tue, 8 Mar 2022 17:38:50 +0100 Subject: [PATCH] Update map_gf_struct_solver function to new gf_struct convention --- python/triqs_dft_tools/block_structure.py | 10 +++++----- 1 file changed, 5 insertions(+), 5 deletions(-) diff --git a/python/triqs_dft_tools/block_structure.py b/python/triqs_dft_tools/block_structure.py index d1e9c687..9b9b7a73 100644 --- a/python/triqs_dft_tools/block_structure.py +++ b/python/triqs_dft_tools/block_structure.py @@ -280,13 +280,9 @@ class BlockStructure(object): # zero out all the lines of the transformation that are # not included in gf_struct_solver - #TODO CHECK THIS! for iorb in range(self.gf_struct_sumk_dict[icrsh][block]): if self.sumk_to_solver[ish][(block, iorb)][0] is None: trans[icrsh][block][iorb, :] = 0.0 - # for iorb, norb in enumerate(self.gf_struct_sumk_dict[icrsh][block]): - # if self.sumk_to_solver[ish][(block, norb)][0] is None: - # trans[icrsh][block][iorb, :] = 0.0 return trans @property @@ -560,7 +556,6 @@ class BlockStructure(object): gfs[icrsh][ind_sol[0]].append(ind_sol[1]) self.pick_gf_struct_solver(gfs) - # TODO! def map_gf_struct_solver(self, mapping): r""" Map the Green function structure from one struct to another. @@ -611,6 +606,11 @@ class BlockStructure(object): for k in list(self.sumk_to_solver[ish].keys()): if not k in su2so: su2so[k] = (None, None) + + for new_block in gf_struct: + assert all(np.sort(gf_struct[new_block]) == list(range(len(gf_struct[new_block])))) ,\ + "New gf_struct does not have valid 0-based indices!" + gf_struct[new_block] = len(gf_struct[new_block]) self.adapt_deg_shells(gf_struct, ish)