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choderalab / openmoltools Public

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Add more informative info to system_checker#228

Merged

davidlmobley merged 7 commits intomasterchoderalab/openmoltools:masterfrom mobleychoderalab/openmoltools:mobleyCopy head branch name to clipboard

Jul 12, 2016

+85-26

Conversation Commits7 (7)Checks Files changed

Commits

Commits on Jul 4, 2016

Add informative print info to the torsional force comparison.
davidlmobley
committed
Adding energy minimization in packmol tests
davidlmobley
committed

Commits on Jul 5, 2016

Make debug info for torsions be slightly more useful still.
davidlmobley
committed

Commits on Jul 11, 2016

Add actual units to system_checker.py
davidlmobley
committed
Improving error messages in system checker to include units info.
davidlmobley
committed
Bugfix
davidlmobley
committed
Bugfixes to system_checker.
davidlmobley
committed

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