Orca is an ab initio quantum chemistry program. It is developed in the research group of Frank Neese at the University of Bonn where he is lead author. In order to use this software, you will first have to register on the Orca forum and then provide proof of this to the Rosalind Operations Team.
The current versions installed are:
Loading the module¶
To load the module:
module load apps/orca/4.2.0