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usnistgov / jarvis

JARVIS-Tools: an open-source software package for data-driven atomistic materials design. Publications: https://scholar.google.com/citations?user=3w6ej94AAAAJ https://www.youtube.com/watch?v=2-XHeC8gbeY
https://pages.nist.gov/jarvis/
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Fix AseAtoms bug #205

Closed knc6 closed 2 years ago

knc6 commented 3 years ago

https://github.com/usnistgov/jarvis/blob/d261bba44c56e34e00814b9b433fba58f5fc7ff2/jarvis/core/atoms.py#L1626

pbc=True is not needed.

knc6 commented 2 years ago

Fixed in the 2021.12.16 version, thanks @cganley2