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Just realized that deepmodeling#366 requires setuptools>=61 and setuptools 59 has dropped Python 3.6.
`LabeledSystem.rot_lower_triangular` is the same as `System.rot_lower_triangular`. It's not necessary to define twice.
Adds `max_steps` parameter to `ASEMinimizer`.
Codecov python package is deprecated does not work any more. This patch migrates it to another version.
fix deepmodeling#376 Co-authored-by: Sikai Yao <yaosk@dp.tech>
Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu> Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
The returned system should be of the same type as the perturbed system Co-authored-by: Han Wang <wang_han@iapcm.ac.cn>
njzjz
approved these changes
Dec 1, 2022
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