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 2024-11-01 11:18:01
- 1sVishnu_sk
- Member
- Registered: 2024-10-30
- Posts: 5
How to run pymolcas with python?[PES SCAN}
is there a way to run pymolcas by integrating with python. i need to run relaxed scan varying the bond length and optimising geometry. how should i go about it.
Offline
Pages: 1
Last refresh: Today 10:06:41