rbjiawen

> @Tawfiq1448 You can try with https://github.com/Hongyu-yu/pair_allegro or just add related lines in you pair_allegro.cpp with https://github.com/Hongyu-yu/pair_allegro/blob/1061c6ec414b8cf597ceb54387b86f1e8678a088/pair_allegro.cpp#L486-L503 You don't have to retrain. Just > > * install nequip in https://github.com/koheishimamura/nequip_allegro_tc...

Hello, I used pytorch=1.13.1 and cudatoolkit=11.7, and the nequip 6.0(https://github.com/koheishimamura/nequip_allegro_tc/tree/main/nequip) is getting slower and slower during training, but the problem is solved when I use pytorch=1.11.1. Regarding the model deploy...

Hi, I get the same error when I using sparse_gp.write_model() with the latest version of flare(1.3.3): IndexError: list index out of range.

Yes, I followed the example of customizing the descriptor and tried calling sgp_calc.write_model("mymodel.json"). I switched to version 1.3.0 and do not get this error. I will try adding rel_efs_noise using...

Version 1.3.3 flare works after add the rel_efs_noise !

The links to [FLARE (ACE descriptors + sparse GP)](https://colab.research.google.com/drive/18_pTcWM19AUiksaRyCgg9BCpVyw744xv) notebooks is still not working....

Thanks, it is now available.