Accommodate ase 3.23 for the counterpoise function

logsdail / carmm

Scripts for creation, manipulation and analysis of geometric and electronic structure of molecular models

GNU General Public License v3.0

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Accommodate ase 3.23 for the counterpoise function #173

Closed GaryLZW closed 1 month ago

GaryLZW commented 1 month ago

counterpoise_onepot.py line 79: There seems to be a bug with read_aims_results() in aims io, which prevents me from using template.read_results(dir). I did an ugly work around.