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Pull requests: pyiron/atomistics

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Pull requests list

Add pressure parameter
#674 opened May 21, 2026 by samwaseda Member Loading…
Bump lxml from 6.0.2 to 6.0.4 dependencies Pull requests that update a dependency file python Pull requests that update python code
#650 opened Apr 13, 2026 by dependabot Bot Draft
Melting: Edit bisection algorithm related files
#638 opened Mar 15, 2026 by prabhath-c Contributor Draft
Melting: Edit structure related functions
#637 opened Mar 15, 2026 by prabhath-c Contributor Draft
Melting: Edit CNA descriptor functions
#636 opened Mar 15, 2026 by prabhath-c Contributor Draft
Melting: Stacked pull request
#635 opened Mar 15, 2026 by prabhath-c Contributor Draft
Update pandas to 3.0.2
#619 opened Jan 25, 2026 by jan-janssen Member Draft
ASE: Update defaults for langevin
#206 opened Feb 7, 2024 by jan-janssen Member Draft
Test matgl with LAMMPS
#203 opened Jan 30, 2024 by jan-janssen Member Draft
Simple output interface format_black Launch the pyiron/actions black formatting routine
#190 opened Jan 9, 2024 by jan-janssen Member Draft
Replace dataclass by abstract class
#176 opened Jan 5, 2024 by jan-janssen Member Draft
Define specs
#173 opened Jan 5, 2024 by jan-janssen Member Draft
Extend range in Hessian Test
#146 opened Dec 17, 2023 by jan-janssen Member Draft
Add interface for cp2k
#20 opened Sep 8, 2023 by jan-janssen Member Draft
ProTip! Exclude everything labeled bug with -label:bug.