-
Notifications
You must be signed in to change notification settings - Fork 1
New issue
Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.
By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.
Already on GitHub? Sign in to your account
PR: Ovito visualisation #7
Conversation
There was a problem hiding this comment.
Choose a reason for hiding this comment
The reason will be displayed to describe this comment to others. Learn more.
The ovito viz looks pretty cool!
I make a few suggestions to improve the usability of the ovito data generation script.
There was a problem hiding this comment.
Choose a reason for hiding this comment
The reason will be displayed to describe this comment to others. Learn more.
Good to go 👍
There was a problem hiding this comment.
Choose a reason for hiding this comment
The reason will be displayed to describe this comment to others. Learn more.
LGTM!
Minimal script to convert the output of an MTP evaluation to a 'movie' in OVITO. A README explains how to color code based on the MaxVol gamma values.
We can introduce additional filters if we want to isolate specific atoms / clusters. This is something that could be done in a separate (future) PR.