Repository for the Monash computational chemistry group
Includes input files and job scripts for GAMESS, GAUSSIAN and Psi4 computational chemistry packages, along with job scripts for the Magnus, Massive, Monarch, Raijin and Stampede2 (Texas) supercomputers.
Useful scripts that help with input file generation and visualisation of results.
Covers topics such as programming and running commands involving job submission using the PBS and SLURM job schedulers.