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nlesc-nano / auto-FOX

A library for analyzing potential energy surfaces (PESs) and using the resulting PES descriptors for constructing forcefield parameters.
GNU Lesser General Public License v3.0
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BUG: Fix `DataFrame.loc` indexing failing when passed a 2-tuple #272

Closed BvB93 closed 2 years ago

BvB93 commented 2 years ago

Workaround for a pandas bug.

cc @RobertaPascazio

codecov[bot] commented 2 years ago

Codecov Report

Merging #272 (a7328a5) into master (ca3cd39) will not change coverage. The diff coverage is 100.00%.

Impacted file tree graph

@@           Coverage Diff           @@
##           master     #272   +/-   ##
=======================================
  Coverage   75.25%   75.25%           
=======================================
  Files          66       66           
  Lines        7092     7092           
  Branches     1358     1358           
=======================================
  Hits         5337     5337           
  Misses       1414     1414           
  Partials      341      341
Impacted Files Coverage Δ
FOX/armc/param_mapping.py 83.16% <100.00%> (ø)

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