PeriodicSystems from file does not work

Matgenix / turbomoleio

Turbomoleio is a python package containing a set of tools for the generation of inputs and parsing of outputs for the TURBOMOLE quantum chemistry package.

https://matgenix.github.io/turbomoleio/

GNU General Public License v3.0

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PeriodicSystems from file does not work #39

Open davidwaroquiers opened 1 year ago

davidwaroquiers commented 1 year ago

Problem with user-defined bonds. Even if the $user-defined bonds datagroup is empty, the error is raised.