aaronchen0316

OTF: "calculate_energy" or "calculate_efs" variables are not saved to the checkpoint

1

**Describe the bug** `calculate_energy `and `calculate_efs `are not instance variables. When the OTF object is saved as dictionary/checkpoint, these two variables are not saved. Therefore, when restarting from the checkpoint,...

seg fault when predicting local uncertainty with trained sgp calculator

4

**Describe the bug** I tried to predict the forces on a structure for testing purpose using an already trained sgp calculator/model. However, it threw a segmentation fault. I identified the...