mosdef-hub / foyer

A package for atom-typing as well as applying and disseminating forcefields
https://foyer.mosdef.org
MIT License
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Return periodic torsion params, regardless of k value #471

Closed umesh-timalsina closed 2 years ago

umesh-timalsina commented 2 years ago

PR Summary:

See #470 for further details. Previously, we didn't return any parameters if the value of k == 0. This PR attempts to fix that. Resolves #470.

PR Checklist


codecov[bot] commented 2 years ago

Codecov Report

Merging #471 (e58a2ac) into master (39fccf6) will decrease coverage by 0.01%. The diff coverage is 100.00%.

:exclamation: Current head e58a2ac differs from pull request most recent head c3de41f. Consider uploading reports for the commit c3de41f to get more accurate results

@@            Coverage Diff             @@
##           master     #471      +/-   ##
==========================================
- Coverage   73.82%   73.80%   -0.02%     
==========================================
  Files          17       17              
  Lines        1849     1848       -1     
==========================================
- Hits         1365     1364       -1     
  Misses        484      484              
umesh-timalsina commented 2 years ago

/azp run

azure-pipelines[bot] commented 2 years ago
Azure Pipelines successfully started running 1 pipeline(s).
justinGilmer commented 2 years ago

/azp run

azure-pipelines[bot] commented 2 years ago
Azure Pipelines successfully started running 1 pipeline(s).
umesh-timalsina commented 2 years ago

/azp run

azure-pipelines[bot] commented 2 years ago
Azure Pipelines successfully started running 1 pipeline(s).