piwheels

molcas-suite

A package for dealing with OpenMOLCAS input and output files

Installation

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

pip3 install molcas-suite

Dependencies

• xyz-py
• h5py
• numpy
• hpc-suite
• matplotlib
• scipy

Releases

Version	Released	Bullseye Python 3.9	Bookworm Python 3.11	Trixie Python 3.13	Files
1.37.1	2025-08-13
molcas_suite-1.37.1-py3-none-any.whl (45 KB)
1.37.0	2025-08-13
molcas_suite-1.37.0-py3-none-any.whl (45 KB)
1.36.0	2025-07-31
molcas_suite-1.36.0-py3-none-any.whl (45 KB)
1.35.0	2025-06-23
molcas_suite-1.35.0-py3-none-any.whl (45 KB)
1.34.3	2025-05-07
molcas_suite-1.34.3-py3-none-any.whl (49 KB)
1.34.2	2025-05-06
molcas_suite-1.34.2-py3-none-any.whl (49 KB)
1.34.1	2025-04-30
molcas_suite-1.34.1-py3-none-any.whl (61 KB)
1.34.0	2025-03-18
molcas_suite-1.34.0-py3-none-any.whl (61 KB)
1.33.1	2025-02-21
molcas_suite-1.33.1-py3-none-any.whl (61 KB)
1.33.0	2025-02-21
molcas_suite-1.33.0-py3-none-any.whl (61 KB)
1.32.4	2024-11-29
molcas_suite-1.32.4-py3-none-any.whl (53 KB)
1.32.3	2024-09-04
molcas_suite-1.32.3-py3-none-any.whl (53 KB)
1.32.2	2024-08-13
molcas_suite-1.32.2-py3-none-any.whl (53 KB)
1.32.1	2024-08-09
molcas_suite-1.32.1-py3-none-any.whl (53 KB)
1.32.0	2024-05-03
molcas_suite-1.32.0-py3-none-any.whl (53 KB)
1.31.1	2024-04-30
molcas_suite-1.31.1-py3-none-any.whl (53 KB)
1.31.0	2024-04-10
molcas_suite-1.31.0-py3-none-any.whl (53 KB)
1.30.0	2024-02-06
molcas_suite-1.30.0-py3-none-any.whl (53 KB)
1.28.0	2023-11-01
molcas_suite-1.28.0-py3-none-any.whl (52 KB)
1.27.0	2023-10-24
molcas_suite-1.27.0-py3-none-any.whl (53 KB)
1.26.0	2023-10-02
molcas_suite-1.26.0-py3-none-any.whl (52 KB)
1.25.0	2023-08-01
molcas_suite-1.25.0-py3-none-any.whl (52 KB)
1.24.1	2023-07-06
molcas_suite-1.24.1-py3-none-any.whl (51 KB)
1.24.0	2023-07-05
molcas_suite-1.24.0-py3-none-any.whl (51 KB)
1.23.0	2023-06-01
molcas_suite-1.23.0-py3-none-any.whl (51 KB)
1.22.0	2023-05-28
molcas_suite-1.22.0-py3-none-any.whl (51 KB)
1.21.0	2023-03-07
molcas_suite-1.21.0-py3-none-any.whl (51 KB)
1.20.0	2023-02-20
molcas_suite-1.20.0-py3-none-any.whl (50 KB)
1.19.0	2023-01-27
molcas_suite-1.19.0-py3-none-any.whl (51 KB)
1.18.1	2023-01-19
molcas_suite-1.18.1-py3-none-any.whl (51 KB)
1.18.0	2022-12-15
molcas_suite-1.18.0-py3-none-any.whl (50 KB)
1.17.1	2022-10-07
molcas_suite-1.17.1-py3-none-any.whl (50 KB)
1.17.0	2022-10-06
molcas_suite-1.17.0-py3-none-any.whl (50 KB)
1.16.3	2022-10-04
molcas_suite-1.16.3-py3-none-any.whl (50 KB)
1.16.2	2022-10-03
molcas_suite-1.16.2-py3-none-any.whl (50 KB)
1.16.1	2022-09-29
molcas_suite-1.16.1-py3-none-any.whl (50 KB)
1.16.0	2022-09-29
molcas_suite-1.16.0-py3-none-any.whl (50 KB)
1.15.1	2022-09-22
molcas_suite-1.15.1-py3-none-any.whl (53 KB)
1.15.0	2022-09-22
molcas_suite-1.15.0-py3-none-any.whl (53 KB)
1.14.1	2022-09-15
molcas_suite-1.14.1-py3-none-any.whl (52 KB)
1.14.0	2022-08-31
molcas_suite-1.14.0-py3-none-any.whl (52 KB)
1.13.7	2022-08-22
molcas_suite-1.13.7-py3-none-any.whl (52 KB)
1.13.6	2022-08-08
molcas_suite-1.13.6-py3-none-any.whl (52 KB)
1.13.5	2022-08-08
molcas_suite-1.13.5-py3-none-any.whl (52 KB)
1.13.4	2022-06-13
molcas_suite-1.13.4-py3-none-any.whl (52 KB)
1.13.3	2022-06-08
molcas_suite-1.13.3-py3-none-any.whl (52 KB)

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