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Public repository / MTD-group

amlt

Atomistic Machine Learning Tools

4Stars

2Forks

0Open issues

3Subscribers

Language distribution

Share of source bytes reported by GitHub

Python92%

Jupyter Notebook8%

Recent activity

Latest commits on the default branch

New and better random sheer generatorMichael Waters · Jan 22, 2024 I fixed a bug so that the by_atom option now works.Michael Waters · May 5, 2023 Forgot to remove some debug lines.Michael Waters · May 4, 2023 I added support for reference energy subtraction via list to plot_energy_error_heatmap and I created plot_force_energy_heatmapMichael Waters · May 4, 2023 Plotting with pairlists is the future and so merging with the improved polymorphs branch will eventually constitute a v0.1Michael Waters · Mar 8, 2022 I added a return directories for the file populatorMichael Waters · Jan 28, 2022 a small tweak to the directory populatorMichael Waters · Jan 20, 2022 The RandomStructure generator is now alive and supports non-orthorhombic cellsMichael Waters · Jan 19, 2022 I added a max_atoms filter for the polymorph generator, and a simple structure writting functionMichael Waters · Jan 19, 2022 I renamed Polymorpher because it's the first one really.Michael Waters · Jan 19, 2022

Project details

Created May 2019 Updated Jan 2024 MIT License

Contributors

2

nawagner25 commits

mikejwaters2 commits