A collection of tools for the analysis of nanocrystals.
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core_index
option was not properly respected by @BvB93 in https://github.com/nlesc-nano/nano-CAT/pull/111
remove_anchor_hydrogens
option to the cone-angle workflow by @BvB93 in https://github.com/nlesc-nano/nano-CAT/pull/118
remove_anchor_hydrogens
keyword by @BvB93 in https://github.com/nlesc-nano/nano-CAT/pull/119
Atom.properties.charge_float
is set by @BvB93 in https://github.com/nlesc-nano/nano-CAT/pull/122
Full Changelog: https://github.com/nlesc-nano/nano-CAT/compare/0.7.1...0.7.2
Published by BvB93 almost 3 years ago
Molecule.get_formula
by @BvB93 in https://github.com/nlesc-nano/nano-CAT/pull/108
Full Changelog: https://github.com/nlesc-nano/nano-CAT/compare/0.7.0...0.7.1
Published by BvB93 almost 3 years ago