Downloads
The following Software that has been developed in our group is available free of charge and can be downloaded here.
- recursiveCC: This code allows for the efficient evaluation of one-electron coupling coefficients and spin densities between spin-adapted configuration state functions. Please cite M. Ugandi, M. Roemelt, Int. J. Quantum Chem. 2022, DOI: 10.1002/qua.27045 in case you use recursiveCC.
- MOLBLOCK: If you are interested in downloading the MOLBLOCK code (see e.g. A. Khedkar, M. Roemelt, JCTC, 2019 and M. Ugandi, M. Roemelt, JCC, 2023) please send an email to michael.roemelt [a] hu-berlin.de including your name and then you will receive a token for the GitLab repository shortly after.