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Pull requests: pyiron/atomistics

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Pull requests list

Calculate thermal conductivity with phono3py
#450 opened Mar 27, 2025 by jan-janssen • Draft
3
Bump mendeleev from 0.19.0 to 1.0.0 dependencies Pull requests that update a dependency file python Pull requests that update python code
#449 opened Mar 24, 2025 by dependabot bot Loading…
1
Add conda-remove-defaults: true
#433 opened Mar 6, 2025 by jan-janssen • Draft
2
Bump gpaw from 24.6.0 to 25.1.0 dependencies Pull requests that update a dependency file
#387 opened Jan 6, 2025 by dependabot bot • Draft
1
Bump numpy from 1.26.4 to 2.2.1 dependencies Pull requests that update a dependency file
#378 opened Dec 23, 2024 by dependabot bot • Draft
2
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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