Closed CalCraven closed 1 year ago
Patch coverage: 100.00
% and no project coverage change.
Comparison is base (
2b1f5de
) 86.89% compared to head (5c5dd7f
) 86.89%.
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PR Summary:
This PR looks to add more sorting to the lammpswriter, such that the ordering is done similar to the angles and bonds, which are prioritized not by their position in the parmed structure, but by the indexes of their component atom_types.
PR Checklist