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mosdef-hub / gmso

Flexible storage of chemical topology for molecular simulation
https://gmso.mosdef.org
MIT License
52 stars 33 forks source link

Adjust molecule handling to be consistently set as 0 index #786

Closed CalCraven closed 8 months ago

CalCraven commented 10 months ago

Fixes to address issue #785

This should be ready to review as is, I just add a few test cases in test_molecule_utils.py so check those out.

CalCraven commented 9 months ago

I think this PR is being covered in #787 , so we can close this when that merges.

daico007 commented 8 months ago

Included in #787