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alchemistry / alchemtest

the simple alchemistry test set
https://alchemtest.readthedocs.io
BSD 3-Clause "New" or "Revised" License
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test AMBER data sets #49

Closed orbeckst closed 2 years ago

orbeckst commented 3 years ago

Add tests that all AMBER files can be accessed.

See #37.

orbeckst commented 3 years ago

some of the datasets are tested in PR #53 but two do not fit into the current testing structure.