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.
Please note: The forum's URL has changed. The new URL is: https://molcasforum.univie.ac.at. Please update your bookmarks!
You can choose an avatar and change the default style by going to "Profile" → "Personality" or "Display".Pages: 1
#1 2021-03-03 03:19:28
- David
- Member
- Registered: 2017-05-16
- Posts: 85
QMMM CASPT2 in parallel
Dear developers, does the latest version of OpenMolcas support QM/MM (openmolcas interfaces tinker) CASPT2 calculations in parallel way?
I have tried before, but failed, possiblely due to Tinker's single-core processing....
Last edited by David (2021-03-03 03:22:59)
Offline
Pages: 1
Last refresh: Today 07:53:06