pyiron-atomistics

An interface to atomistic simulation codes including but not limited to GPAW, LAMMPS, S/Phi/nX and VASP.

Installation

In a virtualenv (see these instructions if you need to create one):

pip3 install pyiron-atomistics

Dependencies

PyPI page
pypi.org/project/pyiron-atomistics
Project JSON
piwheels.org/project/pyiron-atomistics/json
Versions
166
Files
138
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Releases

Version Released Bookworm
Python 3.11		 Trixie
Python 3.13		 Files
0.8.12 2026-08-31    
0.8.11 2026-08-07    
0.8.10 2026-07-27    
0.8.9 2026-06-08    
0.8.8 2026-04-29    
0.8.7 2026-01-19    
0.8.6 2025-12-13    
0.8.5 2025-11-29    
0.8.4 2025-11-07    
0.8.3 2025-11-01    
0.8.2 2025-10-31    
0.8.1 2025-10-07    
0.8.0 2025-09-30    
0.7.20 2025-09-27    
0.7.19 2025-09-22    
0.7.18 2025-09-13    
0.7.17 2025-09-09    
0.7.16 2025-08-26    
0.7.15 2025-08-18  
0.7.14 2025-08-13    
0.7.13 2025-07-22    
0.7.12 2025-07-21    
0.7.11 2025-07-10    
0.7.10 2025-07-06    
0.7.9 2025-07-06    
0.7.8 2025-06-06    
0.7.7 2025-05-16    
0.7.6 2025-04-30    
0.7.5 2025-04-17    
0.7.4 2025-04-14    
0.7.3 2025-04-03    
0.7.2 2025-03-12    
0.7.1 2025-03-05    
0.7.0 2025-02-28    
0.6.25 2025-02-21    
0.6.24 2025-02-19    
0.6.23 2025-02-06    
0.6.22 2025-01-13    
0.6.21 2025-01-09    
0.6.20 2025-01-08    
0.6.19 2024-12-18    
0.6.18 2024-12-10    
0.6.17 2024-11-21    
0.6.16 2024-11-08    
0.6.15 2024-11-01    
0.6.14 2024-10-17    
0.6.13 2024-09-26    
0.6.12 2024-09-06    
0.6.11 2024-08-24    
0.6.10 2024-08-01    
0.6.9 2024-07-24    
0.6.8 2024-07-22    
0.6.7 2024-07-19    
0.6.6 2024-07-17    
0.6.5 2024-07-16    
0.6.4 2024-07-11    
0.6.3 2024-06-26    
0.6.2 2024-06-21    
0.6.1 2024-06-09    
0.6.0 2024-06-04    
0.5.4 2024-05-03    
0.5.3 2024-04-26    
0.5.2 2024-04-17    
0.5.1 2024-04-14    
0.5.0 2024-04-02    
0.4.18 2024-04-02    
0.4.17 2024-02-23    
0.4.16 2024-02-20    
0.4.15 2024-02-16    
0.4.14 2024-02-12    
0.4.13 2024-02-08    
0.4.12 2024-02-05    
0.4.11 2024-02-03    
0.4.10 2024-02-02    
0.4.9 2024-01-30    
0.4.8 2024-01-22    
0.4.7 2024-01-17    
0.4.6 2024-01-12    
0.4.5 2024-01-12    
0.4.4 2024-01-04    
0.4.3 2024-01-04    
0.4.2 2024-01-03    
0.4.1 2023-12-21    
0.4.0 2023-12-20    
0.3.12 2023-12-18    
0.3.11 2023-12-08    
0.3.10 2023-12-03    
0.3.9 2023-12-03    
0.3.8 2023-12-02    
0.3.7 2023-11-23    
0.3.6 2023-11-18    
0.3.5 2023-10-24    
0.3.4 2023-10-05    
0.3.3 2023-09-19    
0.3.2 2023-08-23
0.3.1 2023-07-18
0.3.0 2023-06-08
0.3.0.dev0 pre-release 2023-07-06
0.2.67 2023-05-17
0.2.66 2023-04-18
0.2.65 2023-04-04
0.2.64 2023-03-16
0.2.63 2023-02-22
0.2.62 2023-01-11
0.2.61 2022-12-06
0.2.60 2022-11-24
0.2.59 2022-10-25
0.2.58 2022-10-11
0.2.57 2022-09-27
0.2.56 2022-09-13
0.2.55 2022-09-06
0.2.54 2022-08-16
0.2.53 2022-08-09
0.2.52 2022-08-04
0.2.51 2022-07-19
0.2.50 2022-07-12
0.2.49 2022-07-05
0.2.48 2022-06-21
0.2.47 2022-05-26
0.2.46 2022-05-24
0.2.45 2022-04-27
0.2.44 2022-04-19
0.2.43 2022-04-12
0.2.42 2022-04-05
0.2.41 2022-03-30
0.2.40 2022-03-08
0.2.39 2022-03-01
0.2.38 2022-02-22
0.2.37 2022-02-08
0.2.36 2022-02-03
0.2.35 2022-01-18
0.2.34 2022-01-12
0.2.33 2021-12-14
0.2.32 2021-12-07
0.2.31 2021-12-01
0.2.30 2021-11-23
0.2.29 2021-11-02
0.2.28 2021-10-19
0.2.27 2021-10-12
0.2.26 2021-09-28
0.2.25 2021-09-03
0.2.24 2021-08-24
0.2.23 2021-08-11
0.2.22 2021-08-03
0.2.21 2021-07-20
0.2.20 2021-07-13
0.2.19 2021-07-06
0.2.18 2021-06-29
0.2.17 2021-06-22
0.2.16 2021-06-15
0.2.15 2021-06-08
0.2.14 2021-06-02
0.2.13 2021-05-25
0.2.12 2021-05-14
0.2.11 2021-04-24
0.2.10 2021-04-14
0.2.9 2021-03-22
0.2.8 2021-03-18
0.2.7 2021-03-16
0.2.6 2021-03-05
0.2.5 2021-03-02
0.2.4 2021-02-27
0.2.3 2021-02-02
0.2.2 2021-01-16
0.2.1 2021-01-14
0.2.0 2021-01-09

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Page last updated 2026-09-03 14:21:22 UTC