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Fixes #353 #355

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merged 9 commits into from
Apr 6, 2023
Merged

Fixes #353 #355

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572b895
black test_samplecontainer.py.
qchempku2017 Feb 20, 2023
348d1cb
Merge remote-tracking branch 'upstream/main'
qchempku2017 Feb 21, 2023
15cd3fe
Merge remote-tracking branch 'upstream/main'
qchempku2017 Feb 23, 2023
d410272
Merge remote-tracking branch 'upstream/main'
qchempku2017 Mar 6, 2023
ad5e96a
Merge remote-tracking branch 'upstream/main'
qchempku2017 Mar 17, 2023
6ed464f
Merge remote-tracking branch 'upstream/main'
qchempku2017 Mar 23, 2023
8433983
Merge remote-tracking branch 'upstream/main'
qchempku2017 Mar 30, 2023
d0c6db1
Merge remote-tracking branch 'upstream/main'
qchempku2017 Apr 4, 2023
34b862b
Fixes #353 in restricted_sites.
qchempku2017 Apr 5, 2023
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7 changes: 3 additions & 4 deletions smol/moca/ensemble.py
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Original file line number Diff line number Diff line change
Expand Up @@ -240,10 +240,9 @@ def active_sublattices(self):
@property
def restricted_sites(self):
"""Get indices of all restricted sites."""
sites = []
for sublattice in self.sublattices:
sites += sublattice.restricted_sites
return sites
return np.concatenate(
[sublattice.restricted_sites for sublattice in self.sublattices]
)

@property
def species(self):
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