mosdef-hub / foyer

A package for atom-typing as well as applying and disseminating forcefields
https://foyer.mosdef.org
MIT License
117 stars 75 forks source link

Clarify error in applying forcefield #549

Closed jaclark5 closed 2 months ago

jaclark5 commented 7 months ago

PR Summary:

Slight change in error string to provide guidance to a user on how to resolve it.

PR Checklist


codecov[bot] commented 7 months ago

Codecov Report

All modified and coverable lines are covered by tests :white_check_mark:

Project coverage is 69.55%. Comparing base (cbbc4c8) to head (39c137f). Report is 13 commits behind head on main.

:exclamation: Current head 39c137f differs from pull request most recent head 10a521d. Consider uploading reports for the commit 10a521d to get more accurate results

Additional details and impacted files ```diff @@ Coverage Diff @@ ## main #549 +/- ## ======================================= Coverage 69.55% 69.55% ======================================= Files 16 16 Lines 1662 1662 ======================================= Hits 1156 1156 Misses 506 506 ```