How to deploy the NequIP model for LAMMPS based on the last model instead of the best model?

[hityingph]

Now I am using the trick of renaming the last_model.pth as best_model.pth, and then building the NequIP model based on the last model using the command -"nequip-deploy build --train-dir". Therefore, I am wondering whether there is a more convenient way to build the NequIP model for LAMMPS based on the last model?

[Linux-cpp-lisp]

Hi @hityingph ,

Thanks for your interest in our codes!

This is definitely an oversight and I've added it to my list to add a --checkpoint option to nequip-deploy to simplify this. Until then, your solution is likely the easiest one.

[Linux-cpp-lisp]

Hi @hityingph ,

I've added a nequip-deploy build --checkpoint flag in a new commit (4aabe9f) on develop; please let me know if you find any issues with it.