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Pull requests: deepmodeling/dpgen
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post_fp_cp2k
, adapt to SCF not converged situation.
#1562
opened May 28, 2024 by
dulinhan
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Enhance poscar_scale function (/data/gen.py)to detect Selective dynamics
#1439
opened Dec 28, 2023 by
Mancn-Xu
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Updated in the last three days: updated:>2024-11-27.