orca - nesi/applications GitHub Wiki

Table of Contents

• Details
• Example SLURM jobs

• Homepage: http://www.thch.uni-bonn.de/tc/orca/
• Version available: 3_0_2-linux_x86-64

Description: ORCA is a flexible, efficient and easy-to-use general purpose tool for quantum chemistry

There are no Slurm job files provided yet. Please contact [email protected].