Yifan Li李一帆

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icon location Princeton, NJ, USA icon location PhD Candidate in Chemistry, Princeton University

Results 2 issues of Yifan Li李一帆

yaml version out of date

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When using the following package versions: Package Version ------------------ ------------------ bcrypt 4.0.1 certifi 2023.11.17 cffi 1.16.0 charset-normalizer 3.3.2 cryptography 41.0.5 dargs 0.4.3 deepks 0.2.dev79+g7978b39 dpdispatcher 0.6.2 idna 3.4 numpy 1.26.2...

fix dplr: set the positions of WCs to those of the real atoms in end_of_step

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Thie PR aims at fixing #3679. `Fix dplr` assumes that the WCs exacts reside on the positions of the real atoms at the end of each step, and assigns the...

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