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ReliaSolve / Molprobity2

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Send Jane a list of what small snippets we would need to test each of the Movers and Probe #172

Closed russell-taylor closed 1 year ago

russell-taylor commented 2 years ago

@todo: Do this in the context of writing up a document that describes the unit tests on Probe2 and Reduce2 and argues for why we know they are working.

russell-taylor commented 2 years ago

@todo: How to test the probe2 script functions and behavior?

russell-taylor commented 1 year ago

Unit tests handle the Mover and Optimizer cases.

Jane is looking for tests for configurations she wants.