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openkim
KIM-based Learning-Integrated Fitting Framework for interatomic potentials.
Dear Developer, I am a beginner with KLIFF and have been able to train potential functions using example files. However, I am unable to access the initial training set files...
Hi mjwen@mjwen , I am currently attempting to develop a neural network potential for a PtRh alloy. I have trained using a 2000-step AIMD dataset with KLIFF, but the resulting...
I dont expect this PR to be immediately merged. But I think I can use a fresh pair of eyes for the trainer. Now it has three trainers, KIM trainer,...
Update versions of tools in pre-commit config to latest versions.
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Bumps [actions/setup-python](https://github.com/actions/setup-python) from 5.1.0 to 5.1.1. Release notes Sourced from actions/setup-python's releases. v5.1.1 What's Changed Bug fixes: fix(ci): update all failing workflows by @mayeut in actions/setup-python#863 This update ensures compatibility...
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I notice that many examples in the [documentation](https://kliff.readthedocs.io/en/latest/tutorials.html) seem to be broken. Main error is `ModuleNotFoundError: No module named 'kliff'`. But, many texts are also not properly rendered. I will...
Hi,@mjwen I am currently attempting to train a neural network potential for PtRh, but the training results are not satisfactory. I have reviewed the attachment of your published paper "KLIFF:...