piwheels

qmflows

Automation of computations in quantum chemistry.

Installation

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

pip3 install qmflows

Dependencies

• filelock
• pyyaml
• noodles
• numpy
• h5py
• pandas
• plams
• more-itertools
• packaging
• pyparsing

Releases

Version	Released	Bookworm Python 3.11	Trixie Python 3.13	Files
1.0.0	2023-10-06
qmflows-1.0.0-py3-none-any.whl (82 KB)
1.0.0b1 pre-release	2023-05-03
qmflows-1.0.0b1-py3-none-any.whl (82 KB)
0.13.0	2023-04-19
qmflows-0.13.0-py3-none-any.whl (89 KB)
0.12.1	2022-05-18
qmflows-0.12.1-py3-none-any.whl (89 KB)
0.12.0	2022-04-13
qmflows-0.12.0-py3-none-any.whl (89 KB)
0.11.2	2022-02-07
qmflows-0.11.2-py3-none-any.whl (81 KB)
0.11.1	2022-01-21
qmflows-0.11.1-py3-none-any.whl (80 KB)
0.11.0	2021-11-17
qmflows-0.11.0-py3-none-any.whl (79 KB)
0.2.1	2017-11-16
qmflows-0.2.1-py3-none-any.whl (68 KB)

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