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Unit Test framework. #4

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jparkhill opened this issue Jul 8, 2017 · 1 comment
Open

Unit Test framework. #4

jparkhill opened this issue Jul 8, 2017 · 1 comment
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@david-toth
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enhancement
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TensorMol 0.3

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@jparkhill
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We need a simple unit test which trains a potential (with all of our model chemistries) on a Formamide, and runs a short MD, just to put the package through it's paces. The training data should be added to the git as a test.

We should then get that running regularly to check if we are breaking the code....
@jparkhill jparkhill added this to the TensorMol 0.3 milestone Jul 8, 2017
@jparkhill
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I will move all the test*.py files to /examples. and cleaned out some old ones...

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