qcelemental

Core data structures for Quantum Chemistry.

Installation

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

pip3 install qcelemental

Dependencies

PyPI page
pypi.org/project/qcelemental
Project JSON
piwheels.org/project/qcelemental/json
Versions
61
Files
61
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Releases

Version Released Bookworm
Python 3.11		 Trixie
Python 3.13		 Files
0.51.1 2026-08-29    
0.51.0 2026-08-18    
0.50.4 2026-06-23    
0.50.3 2026-06-22    
0.50.2 2026-05-28    
0.50.1 2026-05-21    
0.50.0 2026-05-20    
0.50.0rc5 pre-release 2026-04-29    
0.50.0rc4 pre-release 2026-03-29    
0.50.0rc3 pre-release 2026-03-11    
0.50.0rc2 pre-release 2026-02-18    
0.50.0rc1 pre-release 2026-01-13    
0.30.1 2026-02-10    
0.30.0 2026-01-08    
0.29.0 2025-01-13    
0.28.0 2024-06-21    
0.27.1 2023-10-26    
0.27.0 2023-10-24    
0.26.0 2023-07-31
0.25.1 2022-10-31
0.25.0 2022-06-13
0.24.0 2021-11-18
0.23.0 2021-09-24
0.22.0 2021-08-27
0.21.0 2021-07-01
0.20.0 2021-05-17
0.19.0 2021-03-05
0.18.0 2021-02-16
0.17.0 2020-10-02
0.16.0 2020-08-19
0.15.1 2020-06-26
0.15.0 2020-06-25
0.14.0 2020-03-06
0.13.1 2020-02-05
0.13.0 2020-01-29
0.12.0 2019-11-13
0.11.1 2019-10-28
0.11.0 2019-10-24
0.10.0 2019-10-16
0.9.0 2019-09-30
0.8.0 2019-09-13
0.7.0 2019-08-23
0.6.1 2019-08-19
0.6.0 2019-08-14
0.5.0 2019-07-17
0.4.2 2019-06-13
0.4.1 2019-05-31
0.4.0 2019-05-13
0.3.3 2019-03-12
0.3.2 2019-03-12
0.3.1 2019-03-07
0.3.0 2019-02-27
0.2.6 2019-02-18
0.2.5 2019-02-14
0.2.4 2019-02-08
0.2.3 2019-01-29
0.2.2 2019-01-29
0.2.1 2019-01-27
0.2.0 2019-01-25
0.1.3 2019-01-15
0.1.0a0 pre-release 2018-10-24

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Page last updated 2026-09-03 07:59:36 UTC