tavanfran
tavanfran
I generated an interatomic potential using librascal and I get a model.json file, which works with ASE. However, the MD simulations are very slow due to difficulties in ASE parallelization....
Dear librascal developers, I am trying to use the jupyter notebook called "optimized_radial_basis_function" in your example directory. I get the following error: cov = get_radial_basis_covariance(spex, feats) Traceback (most recent call...