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Pull requests: ZimmermanGroup/pyGSM

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Pull requests list

Fix fragments with interleaved atom indices (#47)
#70 opened Jul 17, 2026 by joshkamm Member Loading…
9 of 11 tasks
1
1
Update main_gsm.py
#64 opened Aug 21, 2024 by jandestrada Loading…
Constrained DFT
#61 opened Apr 26, 2024 by joshkamm Member Loading…
3 tasks
1
@joshkamm
Bug fix on an indent error.
#38 opened Jan 20, 2022 by YuOZW Loading…
Quick fix
#34 opened Jun 13, 2021 by ms860309 Contributor Loading…
support pyGSM to QChem for QMMM system
#12 opened Dec 30, 2020 by shihchengli Loading…
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