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Pull requests: pyiron/atomistics

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Pull requests list

Thermal Expansion: Store changes in cell dimensions
#583 opened Nov 4, 2025 by jan-janssen • Draft
2
Use semantikon annotation for units in a random number of functions
#467 opened May 6, 2025 by samwaseda • Draft
6
Calculate thermal conductivity with phono3py
#450 opened Mar 27, 2025 by jan-janssen • Draft
3
ASE: Update defaults for langevin
#206 opened Feb 7, 2024 by jan-janssen • Draft
Test matgl with LAMMPS
#203 opened Jan 30, 2024 by jan-janssen • Draft
4
Simple output interface format_black Launch the pyiron/actions black formatting routine
#190 opened Jan 9, 2024 by jan-janssen • Draft
1
Replace dataclass by abstract class
#176 opened Jan 5, 2024 by jan-janssen • Draft
8
Define specs
#173 opened Jan 5, 2024 by jan-janssen • Draft
8
Extend range in Hessian Test
#146 opened Dec 17, 2023 by jan-janssen • Draft
3
Add interface for cp2k
#20 opened Sep 8, 2023 by jan-janssen • Draft
5
ProTip! What’s not been updated in a month: updated:<2025-11-13.