mirror of
https://github.com/triqs/dft_tools
synced 2024-12-22 20:34:38 +01:00
Bugfix in block_structure.py
In the (rare) case that one has multiple shells with different number of orbitals (e.g. p-d-systems) the old code crashed when converting GFs from the second shell as matrix dimensions were not fitting (the tmp matrix was always created for the first shell).
This commit is contained in:
parent
755381be4b
commit
db8a7e543e
@ -997,7 +997,7 @@ class BlockStructure(object):
|
||||
maxdiff = G_back[name] - G[name]
|
||||
|
||||
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
|
||||
maxdiff = G_struct._convert_gf_or_matrix(tmp, self, ish_from=ish_from,
|
||||
ish_to=ish_to,
|
||||
|
Loading…
Reference in New Issue
Block a user