-
Notifications
You must be signed in to change notification settings - Fork 23
Open
Description
I noticed that this location (https://github.com/robinzyb/cp2kdata/tree/main/tests/test_dpdata/v2022.1/aimd/)have the virial.npy file by executing the IL-1.stress ,and could you conveniently upload the script for obtaining virial from cp2k aims stress data and the script for obtaining virial from cp2k single point calculation stress data?
Reactions are currently unavailable
Metadata
Metadata
Assignees
Labels
No labels