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Pull requests: deepmodeling/dpgen

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Pull requests list

feat: enhanced _sys check when adding to all_sys
#1787 opened Aug 1, 2025 by SchrodingersCattt Loading…
1
feat: add support for flexible multiplicity in CP2K inputs
#1785 opened Aug 1, 2025 by SchrodingersCattt Loading…
11
Update shuffle_poscar feature in run.py
#1730 opened Mar 22, 2025 by ztzkz Loading…
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 Loading…
12
Enhance poscar_scale function (/data/gen.py)to detect Selective dynamics
#1439 opened Dec 28, 2023 by Mancn-Xu Loading…
@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 Loading…
2
add training_reuse_decay_steps
#1055 opened Nov 29, 2022 by tuoping Loading…
2
DPGEN with constrained structures (new)
#892 opened Aug 19, 2022 by ShaneLogic Loading…
1
Update README.md
#750 opened Jun 8, 2022 by pee8379 Loading…
3
Update collect.py
#321 opened Sep 17, 2020 by trollchu Loading…
1
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