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Unit Test framework.

Open jparkhill opened this issue 8 years ago • 1 comments

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 avatar Jul 08 '17 20:07 jparkhill

I will move all the test*.py files to /examples. and cleaned out some old ones...

jparkhill avatar Oct 30 '17 14:10 jparkhill