Wailord is a python library to interact with ORCA
Project description
Wailord is a python library to interact with ORCA
Free software: GNU General Public License v3
Documentation: https://wailord.netlify.app
Being written up for formal publication. Till then feel free to use the ZenodoDOI.
Features
Integrates with SLURM in a manner of speaking
Generic helpers for building arbitrary input files
Generates data-frames for all supported runs
Limitations
By choice, the split-job syntax has not been included
Credits
This package was created with Cookiecutter and the audreyr/cookiecutter-pypackage project template.
The image is from wallhaven.cc
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