Replies: 1 comment
-
There's no theoretical restriction. |
Beta Was this translation helpful? Give feedback.
0 replies
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
-
Hi ,
I am trying to devolepe a NN potential for bulk gas phase reactions. I have used VASP AIMD simulations to generate the training data . Since I need to capture different subsets of reactions , I have different AIMD runs with different box sizes. Is there a theoretical restriction in including systems with different box sizes in the training dataset ? I think it shouldn't matter as long as PBC is enabled.
Regards ,
magnamad
Beta Was this translation helpful? Give feedback.
All reactions