Issues: openforcefield/openff-evaluator

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Issues list

Add an equilibration phase for slow-equilibrating properties

#593 opened Jan 6, 2025 by lilyminium

Relative uncertainty does not result in successful properties unless relative_uncertainty > 1.0

#592 opened Jan 5, 2025 by lilyminium

Equilibration times and samplig

#591 opened Dec 16, 2024 by lilyminium

Add test for temperature control in OpenMM

#590 opened Dec 4, 2024 by mattwthompson

Not sure GPUToolkit.auto works as intended

#586 opened Dec 2, 2024 by lilyminium

[FEAT] Bubble errors up from workflows (or document how to debug errors) enhancement

New feature or request

good first issue

Good for newcomers

#581 opened Oct 9, 2024 by lilyminium

Getting rid of data point if thermophysical data is not included

#578 opened Oct 1, 2024 by barmoral

AttributeError: Neither Quantity object nor its magnitude has attribute 'unit'. Did you mean: 'units'? in BuildCoordinatesPackmol("")

#567 opened Aug 24, 2024 by MiloszGrabski

tutorial04 - No module named 'forcebalance' needs-info