theochem / procrustes

Python library for finding the optimal transformation(s) that makes two matrices as close as possible to each other.

https://procrustes.qcdevs.org/

GNU General Public License v3.0

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Fix test error parameters #191

Open banrovegrie opened 1 year ago

banrovegrie commented 1 year ago

This is to fix #190.

codecov[bot] commented 1 year ago

Codecov Report

Merging #191 (b331b05) into master (261679a) will not change coverage. The diff coverage is n/a.

@@           Coverage Diff           @@
##           master     #191   +/-   ##
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  Coverage   94.38%   94.38%           
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  Files          11       11           
  Lines         695      695           
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  Hits          656      656           
  Misses         39       39

banrovegrie commented 1 year ago

@FanwangM should we merge it too?

FanwangM commented 1 year ago

@FanwangM should we merge it too?

Let's wait for a while. I am doing more investigation. The way you proposed works in a compromising way, but I would like to see if I can figure out the reason.

banrovegrie commented 1 year ago

Yeah, sure sure