Till Stensitzki

Results 25 comments of Till Stensitzki

Hi, First of all, I’m absolutely blown away by the performance of GPU4PySCF—thank you for this amazing tool! I have a beginner question regarding an issue I encountered. I’m running...

This shows the memory useage of a run: ![Image](https://github.com/user-attachments/assets/2ca69e14-757d-4bfd-9213-431b93f5c83d)

I attachted a log from a run. [slurm-950146.log](https://github.com/user-attachments/files/18617854/slurm-950146.log)

Short follow up question. Using the driver helper functions, how to use the saved density to generate a cube file?