From cbeb26cc7f52a76c20cd969ed7f71bbf1a72f2a0 Mon Sep 17 00:00:00 2001 From: hschnait Date: Tue, 8 Mar 2022 17:47:36 +0100 Subject: [PATCH] Update trans_basis for new gf_struct convention. --- python/triqs_dft_tools/trans_basis.py | 14 +++++++------- 1 file changed, 7 insertions(+), 7 deletions(-) diff --git a/python/triqs_dft_tools/trans_basis.py b/python/triqs_dft_tools/trans_basis.py index 75dc0bf4..9d14c612 100644 --- a/python/triqs_dft_tools/trans_basis.py +++ b/python/triqs_dft_tools/trans_basis.py @@ -150,14 +150,14 @@ class TransBasis: # build a full GF gfrotated = BlockGf(name_block_generator=[(block, GfImFreq( - indices=inner, mesh=gf_to_rot.mesh)) for block, inner in self.SK.gf_struct_sumk[0]], make_copies=False) + target_shape=(block_dim, block_dim), mesh=gf_to_rot.mesh)) for block, block_dim in self.SK.gf_struct_sumk[0]], make_copies=False) # transform the CTQMC blocks to the full matrix: # ish is the index of the inequivalent shell corresponding to icrsh ish = self.SK.corr_to_inequiv[0] - for block, inner in self.gf_struct_solver[ish].items(): - for ind1 in inner: - for ind2 in inner: + for block, block_dim in self.gf_struct_solver[ish].items(): + for ind1 in range(block_dim): + for ind2 in range(block_dim): gfrotated[self.SK.solver_to_sumk_block[ish][block]][ ind1, ind2] << gf_to_rot[block][ind1, ind2] @@ -168,9 +168,9 @@ class TransBasis: gfreturn = gf_to_rot.copy() # Put back into CTQMC basis: - for block, inner in self.gf_struct_solver[ish].items(): - for ind1 in inner: - for ind2 in inner: + for block, block_dim in self.gf_struct_solver[ish].items(): + for ind1 in range(block_dim): + for ind2 in range(block_dim): gfreturn[block][ind1, ind2] << gfrotated[ self.SK.solver_to_sumk_block[0][block]][ind1, ind2]