Félix Therrien

Hi, I have created a package named [VaspGibbs](https://github.com/ftherrien/VaspGibbs) to simplify the process of getting Gibbs free energy from [VASP](https://www.vasp.at/) calculations. The physics of VaspGibbs are not new and other large...

Is your pretrained model available?

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Hi @vxfung, This is not an issue, but more of a feature request. Is it possible to directly use your pre-trained model? Thanks, Félix

Tests failing after PR #67

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Some tests are failing since PR #67 (or before?!) ``` ================================== short test summary info =================================== FAILED tests/decorations/test_defects.py::test_iterator - AttributeError: 'pylada.decorations._decorations.FCIterator' object has no attribute '_FC... FAILED tests/decorations/test_fciterator.py::test_fciterator - AttributeError:...

This is just a few tweeks that I have made to pylada in the past year that I forgot to merge. 1. Fixed the grubber call in neighbors and coordination_shells...