Welcome to tmoutproc’s documentation!
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! The package is divided in three modules:
tmoutproc.calc_utils: Methods useful for calculations using turbomole output
tmoutproc.geometry_utils: Methods useful for manipulating coord files in xyz and turbomole format
tmoutproc.io: Input/Output Methods (Loading and saving coord files in xyz and turbomole format, …)
See available modules: Module Index