Interactive mode

2025 March 6

Info

Requirements:

CrySPY 1.4.0 or later
Jupyter
Structure optimization software compatible with ASE (e.g., machine learning potentials).
nglview (optional)

An interactive mode using Jupyter Notebook has been made available to ensure ease of use, even for those unfamiliar with PC clusters or supercomputers. Since the structure optimization calculations are designed for ASE, compatible machine learning potentials can be used.

For detailed usage, please refer to Tutorial > Interactice mode（Jupyter Notebook）.