Bureaucrats, cc_docs_admin, cc_staff
2,306
edits
ORCA: Difference between revisions
Jump to navigation
Jump to search
→Using NBO with ORCA
| Line 157: | Line 157: | ||
== Using NBO with ORCA == | == Using NBO with ORCA == | ||
To run NBO with ORCA, one needs to have access to NBO. On our clusters, NBO is not available as a separate module. However, it is possible to access it via the Gaussian modules which are installed on [[Cedar]] and [[Graham]]. Users interested to use NBO with ORCA should have access to ORCA and Gaussian. To get access to Gaussian, you can follow the steps discussed in this [Gaussian#License_agreement page]. | To run NBO with ORCA, one needs to have access to NBO. On our clusters, NBO is not available as a separate module. However, it is possible to access it via the Gaussian modules which are installed on [[Cedar]] and [[Graham]]. Users interested to use NBO with ORCA should have access to ORCA and Gaussian. To get access to Gaussian, you can follow the steps discussed in this [[Gaussian#License_agreement page]]. | ||
=== Script example === | === Script example === | ||