turbomoleio

package for turbomole i/o

Project description

Turbomoleio is a python package containing a set of tools for the generation of inputs and parsing of outputs for TURBOMOLE, based on the open-source pymatgen library. Turbomoleio is compatible with python version 3.8+. Full documentation can be found on https://matgenix.github.io/turbomoleio/index.html.

Project details

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1.6.0

Sep 12, 2024

1.5.0

Mar 27, 2024

1.4.0

Mar 4, 2024

This version

1.3.1

Feb 21, 2024

1.3.0

Mar 16, 2022

1.2.0

Feb 21, 2022

1.1.1

Feb 15, 2022

1.1.0

Feb 15, 2022

1.0.0

Jul 9, 2021

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Source Distribution

turbomoleio-1.3.1.tar.gz (137.4 kB view hashes)

Uploaded Feb 21, 2024 Source

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turbomoleio-1.3.1-py3-none-any.whl (162.8 kB view hashes)

Uploaded Feb 21, 2024 Python 3

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