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Fix incompatibility of autotest module with latest pymatgen>2022.7.19#963

Merged
wanghan-iapcm merged 13 commits intodeepmodeling:develfrom
ZLI-afk:devel_0921
Oct 6, 2022
Merged

Fix incompatibility of autotest module with latest pymatgen>2022.7.19#963
wanghan-iapcm merged 13 commits intodeepmodeling:develfrom
ZLI-afk:devel_0921

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