Welcome to Wailord’s documentation!¶
Wailord is a python library to interact with ORCA
Free software: GNU General Public License v3
Being written up. Till then feel free to use the ZenodoDOI.
Integrates with SLURM in a manner of speaking
Generic helpers for building arbitrary input files
Generates data-frames for all supported runs
By choice, the split-job syntax has not been included