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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Add an example for parameter transformation #44

Closed yonatank93 closed 2 years ago

yonatank93 commented 2 years ago

The example was set up to run similar calculation as example_kim_SW_Si.py, but done in log parameter space. This is done by applying log parameter transformation to the model. This example shows how to use parameter transformation. It also shows that after setting the parameter transformation, further calculation can be done in the same way as if we use the default, original space.

mjwen commented 2 years ago

thanks, merged!