A collection of various scripts for submitting computational chemistry jobs to supercomputing clusters provided by various institutions.
This script collection allows the user to easily setup a working environment on the OCCIGEN cluster provided by Cines. It provides shortcuts to follow computations as they are running, follow the queue, and submit Gaussian16, Orca and ADF computations.
This script collection allows the user to easily setup a working environment on the Irene cluster provided by TGCC. It provides shortcuts to follow computations as they are running, follow the queue, and submit Gaussian16 computations.
This script collection allows the user to easily setup a working environment on the Jean Zay cluster provided by Idris. It provides shortcuts to follow computations as they are running, follow the queue, and submit Gaussian16 computations.