Bases: object
Jupyter Widget for AI2CAT
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gen_aimd_config(out_dir: str, **default_value)[source]
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gen_lammps_config(out_dir: str, work_dir: str, **default_value)[source]
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gen_train_config(out_dir: str, **default_value)[source]
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gen_train_vendors_config(out_dir: str, **default_value)[source]
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inspect_deepmd_output(work_dir: str)[source]
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inspect_lammps_output(work_dir: str)[source]