OpenChemistry / avogenerators

Python input file generators for Avogadro 2

OpenChemistry/avogenerators Issues

`KeyError: 'Theory'` when running any of the scripts.
Closed a year ago2
Please provide a proper release of this some time in the near future.
Closed 2 years ago4
Gaussian inputs
Closed 2 years ago2
Generate orca input file failed
Closed 2 years ago2
Need for simple unit tests
Updated 3 years ago1
Geometry
Closed 6 years ago3