ArO2

For getting columbus up and running on stampede refer to the columbus-stampede documentation

Ar / O2 potential energy surface

COLUMBUS and MCSCF overview

• Everything needed to bootstrap the calculation is located in calcs
• The geoms directory contains all of the grid output from CFOUR in cartesian coordinates
• In slurms directory is a script that will run the MCSCF on stampede

Documentation on MRCI coming soon!