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Pull requests: deepmodeling/dpgen

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Pull requests list

Update shuffle_poscar feature in run.py
#1730 opened Mar 22, 2025 by ztzkz
2
style: enable B905 to prevent issues with zip
#1580 opened Jul 8, 2024 by njzjz • Draft
4
Modify post_fp_cp2k, adapt to SCF not converged situation.
#1562 opened May 28, 2024 by dulinhan
12
Enhance poscar_scale function (/data/gen.py)to detect Selective dynamics
#1439 opened Dec 28, 2023 by Mancn-Xu
@wanghan-iapcm
13
docs: document different software
#1431 opened Dec 18, 2023 by njzjz • Draft
13 tasks
2
Lammps template for MD+MC
#1149 opened Mar 9, 2023 by wujing81
2
add training_reuse_decay_steps
#1055 opened Nov 29, 2022 by tuoping • Changes requested
2
DPGEN with constrained structures (new)
#892 opened Aug 19, 2022 by ShaneLogic • Changes requested
1
Update README.md
#750 opened Jun 8, 2022 by pee8379 • Changes requested
3
Update collect.py
#321 opened Sep 17, 2020 by trollchu • Changes requested
1
ProTip! What’s not been updated in a month: updated:<2025-02-28.