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Dependencies
- ase >=3.25
- cvxpy >=1.6
- ipdb
- numpy >=2.0
- phonopy >=2.42
- pulp >=3.3
- pymatgen >=2024.8
- scikit-learn >=1.6.1
- seekpath >=2.1
4 optional dependencies
- pretty-errors[dev]
- pytest[dev]
- pytest-cov[dev]
- pytest-datadir[dev]