-
Notifications
You must be signed in to change notification settings - Fork 1
ipI claculator doesn't work without BEC #4
Copy link
Copy link
Open
Description
The iPI calculator always adds the BEC property to the capabilities of our calculator:
Line 19 in 58b5d07
| self.capabilities.append("born_effective_charges") |
This is problematic since we can also have models without BEC charges. We should probably inspect the checkpoint at init and only add the BEC property if the model also has this...
Reactions are currently unavailable
Metadata
Metadata
Assignees
Labels
No labels