Moved older descriptor, calculator, loss to legacy + tests fixed - Githubissues

openkim / kliff

KIM-based Learning-Integrated Fitting Framework for interatomic potentials.

https://kliff.readthedocs.io

GNU Lesser General Public License v2.1

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Moved older descriptor, calculator, loss to legacy + tests fixed #186

Closed ipcamit closed 1 month ago

ipcamit commented 1 month ago

Summary

This commit moves the descriptor, loss and calculator object to legacy module.
Fixed the tests so that all tests pass now.
Bumped version to 1.0.0

This should finish all the development. Now only documentation, examples, and Readme remains, that I will fix in comping week.

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