Increase number of characters for Schoenflies notation from 4 to 6

grimme-lab / xtb

Semiempirical Extended Tight-Binding Program Package

https://xtb-docs.readthedocs.io/

GNU Lesser General Public License v3.0

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Closed haneug closed 3 months ago

haneug commented 3 months ago

Applies the fix suggested in #593 which should help with #1052. This should allow Dinfh and Cinfh symmetries.