Fixed implicit fingerprinting bug in configuration transforms
Fixed documentation and typing inaccuracies
Added tests for ASE dataset/configuration interactions
Added tests utils (stress functions currently)
Added tests for configuration transformations
libdescriptor integrations and comparison with older modules
graph generations
Abstract ConfigurationTransform class
Added tests for PropertyTransform
I think this covers test cases for most of the newer contributions. Let me know if I missed something. I would start working on the trainer modules now.
ConfigurationTransform
classPropertyTransform
I think this covers test cases for most of the newer contributions. Let me know if I missed something. I would start working on the trainer modules now.