Setting cutoff to a particular value

openkim / kliff

KIM-based Learning-Integrated Fitting Framework for interatomic potentials.

https://kliff.readthedocs.io

GNU Lesser General Public License v2.1

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Closed adityakavalur closed 2 years ago

adityakavalur commented 2 years ago

When setting cutoff. It should check for the second entry being fix, the first entry is float. Trying to lowercase a float object results in an error

mjwen commented 2 years ago

@adityakavalur Thanks for the PR! merged.