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Pull requests: pyiron/atomistics

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Pull requests list

Add seed parameter to LAMMPS run configuration
#570 opened Oct 22, 2025 by prabhath-c Loading…
7
Bump phonopy from 2.43.2 to 2.43.5 dependencies Pull requests that update a dependency file python Pull requests that update python code
#564 opened Oct 20, 2025 by dependabot bot Loading…
1
Use semantikon annotation for units in a random number of functions
#467 opened May 6, 2025 by samwaseda Loading…
4
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
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