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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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Develop #249

Closed knc6 closed 2 years ago

knc6 commented 2 years ago

Fixed selective dynamics issue in Poscar, force reading for single atom system in Vasprun, np.array in core.graps, num_atoms for single atom systems in core.Atoms