Wailord
Wailord is a python library to interact with ORCA
- Free software: GNU General Public License v3
- Documentation: https://wailord.xyz
Being written up. 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
- Initially conceived during EFN115F
- This package was based off the audreyr/cookiecutter-pypackage Cookiecutter template
- The image is from wallhaven.cc
- The favicon is from Bulbagarden