Molcas Forum
Support and discussions for Molcas and OpenMolcas users and developers
You are not logged in.
- Topics: Active | Unanswered
Announcement
Welcome to the Molcas forum.
You can choose an avatar and change the default style by going to "Profile" → "Personality" or "Display".
#1 2023-09-19 11:29:08
- felixp
- Member
- Registered: 2015-11-06
- Posts: 27
- Website
Columbus/OpenMolcas distribution
Hello,
We just prepared a binary distribution of Columbus combined with OpenMolcas. The combined binaries can be downloaded here
https://gitlab.com/columbus-program-sys … -/releases
This will allow you to run high-level uncontracted MRCI with OpenMolcas integrals (and if desired RASSCF orbitals). This also works for SHARC and MRCI dynamics.
-Felix
Offline
Last refresh: Today 13:44:15