wilkek

I have a lattice, where the description of one atom per site is not given, as there is an interstitial. Because of sterical hinderance, none of the atoms ends up...

Hey there, thanks for the amazing possibilities to visualize MD data. As I was playing around with the tutorial, I came to a point, where the actual sites are rotated...

No forces are read, but training is running

1

I got this output for my simulation, and the property forces is not being read. What does it then actually train on, and is there an easy fix? 2025-09-30 17:44:01.395...

Psiflow occupies the /tmp folder and does not properly clean it

1

I got the attached error in my psflow_task_logs folder and could trace it back to a lo of mytmpdir.XXXXXXXXXX being created and not deleted. In this line, it is hardcoded,...