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zincware / IPSuite

Machine Learned Interatomic Potential Tools
https://ipsuite.readthedocs.io
Eclipse Public License 2.0
18 stars 10 forks source link

`CP2KCalculator` not compatible with `ase 3.23.0` #312

Closed PythonFZ closed 3 months ago

PythonFZ commented 3 months ago

Either pin the ASE version or update the mock