The atomate2-turbomole package is a workflow package for Turbomole

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  • License: modified BSD
  • Author: David Waroquiers
  • Tags high-throughput, automated, workflow, dft, ab initio, turbomole
  • Requires: Python >=3.8
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Project description

atomate2-turbomole

Atomate2-turbomole is an add-on package for atomate2.

Atomate2-turbomole is built to work with Turbomole, and is built on top of open source libraries such as pymatgen, custodian, jobflow and turbomoleio.

License

This add-on is released under the same license as atomate2, modified BSD, the full text of which can be found in this repository.

Project details

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Avatar for davidwaroquiers from gravatar.com davidwaroquiers

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These details have not been verified by PyPI
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  • License: modified BSD
  • Author: David Waroquiers
  • Tags high-throughput, automated, workflow, dft, ab initio, turbomole
  • Requires: Python >=3.8
Classifiers

Release history Release notifications | RSS feed

0.3

0.3rc1 pre-release

0.2

0.2rc1 pre-release

0.2a3 pre-release

0.1.1

This version

0.1

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