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Merge pull request #171 from TRIQS/hschnait-patch-2

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Bugfix in block_structure.py for multi-shell-systems
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Alexander Hampel 2021-06-09 14:26:54 -04:00 committed by GitHub
commit 1dfe861164
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python/triqs_dft_tools/block_structure.py
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@ -997,7 +997,7 @@ class BlockStructure(object):
maxdiff = G_back[name] - G[name] maxdiff = G_back[name] - G[name]
if space_to == 'solver' and self == G_struct: # do comparison in solver (ignore diff. in ignored orbitals) if space_to == 'solver' and self == G_struct: # do comparison in solver (ignore diff. in ignored orbitals)
tmp = self.create_matrix(space='sumk') tmp = self.create_matrix(space='sumk', ish=ish_from)
tmp[name] = maxdiff tmp[name] = maxdiff
maxdiff = G_struct._convert_gf_or_matrix(tmp, self, ish_from=ish_from, maxdiff = G_struct._convert_gf_or_matrix(tmp, self, ish_from=ish_from,
ish_to=ish_to, ish_to=ish_to,