This package can be used to process Output of Turbomole Calculations. There is no connection to TURBOMOLE GmbH! The code still needs some polishing and improvement here and there, as it is developed step by step for scientific projects. However, we are working on it and the methods provided are well tested and used in production codes. If you find a bug or see room for improvement, please let us know!
Download repo and use pip in repo directory to install:
pip install .
Or just install directly:
pip install git+https://github.com/blaschma/tmoutproc.git
Find the documentation here
import tmoutproc as top