search

openkim / kliff

KIM-based Learning-Integrated Fitting Framework for interatomic potentials.
https://kliff.readthedocs.io
GNU Lesser General Public License v2.1
34 stars 20 forks source link

Fix _WrapperCalculator #95

Closed mjwen closed 1 year ago

mjwen commented 1 year ago

Summary

A quick fix of _WrapperCalculator to solve the bug reported in #93.