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Pull requests: deepmodeling/dpgen

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Pull requests list

Add support for the new fp_style "cpx" (Quantum Espresso Car-Parrinello cp.x)
#1821 opened Sep 20, 2025 by Constant206462 Loading…
2
docs: improve fp_skip_bad_box documentation with detailed criteria explanation
#1820 opened Sep 18, 2025 by Copilot AI Loading…
1
@njzjz @Copilot
5
fix: return empty list for VASP forward_common_files to prevent upload errors
#1811 opened Sep 8, 2025 by Copilot AI • Draft
1
@njzjz @Copilot
2
fix: ensure element.out is always created in interstitial autotest
#1810 opened Sep 8, 2025 by Copilot AI • Draft
1
@njzjz @Copilot
[Documentation] Add model_devi Variant gromacs with complete parameter specification
#1796 opened Aug 22, 2025 by Copilot AI • Draft
1
@njzjz @Copilot
[Documentation] Add comprehensive CALYPSO model_devi arguments
#1795 opened Aug 22, 2025 by Copilot AI • Draft
1
@njzjz @Copilot
[Documentation] Add comprehensive argument documentation for pwmat FP style with correct parameter validation
#1793 opened Aug 21, 2025 by Copilot AI • Draft
1
@njzjz @Copilot
16
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
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
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