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Research software . Software . 2021

matador: v0.9.11

Matthew L. Evans;
Open Access
Published: 03 Jun 2021
Publisher: Zenodo
Abstract
Minor change: allow specification of arbitrary strings for CASTEP pseudopotential libraries (#156). Bug fix: standardize_cell script failing to use default symmetry tolerance value (#157). Bug fix: scraping of .cif files with single atoms and no symmetries (#173) Bug fix: scraping of Hubbard U values from .castep files, and associated bugs when performing relaxations with Hubbard U (#180) Dependency updates and Python 3.6 deprecation warning (#158, #181)
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