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Nans show up in lammps potential file if SGP covariance matrices aren't up to date

Open jonpvandermause opened this issue 4 years ago • 0 comments

#TODO: Add a check in compute_varmap_coefficients that the size of the covariance matrix matches the number of sparse environments

jonpvandermause avatar Jun 15 '21 20:06 jonpvandermause