Trying to build a general relaxation function through MACE, need help with output!

[ceir13]

Hi, all. I am currently trying to build a general function to relax multiple files with the MACE calculator, however, when I pass the files through either they converge (which is what I need), they run indefinitely, or the Fmax zeroes out after one step. Any help would be appreciated on this problem.

[gabor1]

I always recommend to use the PreconLBFGS, it's a more robust optimiser, even when your system is small and it doesn't do preconditioning

[ceir13]

Edit: the answer was deleting the restart argument in the dyn function.