orbkit is a parallel Python program package for post-processing wavefunction data extracted from output files of MOLPRO (Molden File Format), TURBOMOLE (Molden file format), GAMESS US (Output File), and Gaussian (Output File and Formatted Checkpoint File).
We recommend that you use the orbkit git-repository (click "Code" above) for the latest and greatest features. The zip file for download here is only for convenience but may be outdated!
If you use orbkit in your work, please cite it as follows:
Gunter Hermann, Vincent Pohl, Axel Schild: orbkit: A Toolbox for Post-Processing Quantum Chemical Wavefunction Data, available via http://sourceforge.net/p/orbkit (2014).
New Release 0.2.0 with a new documentation (orbkit.sourceforge.net) out now!
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