Fix import of ASE filters when user has installed from PyPI and not gitlab #650
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Simple fix for a recent change to
atomate2.forcefields.utils
which tries to importFrechetCellFilter
fromase.filters
. Neither that filter nor the module in ASE exist in the current PyPI release.I don't know that it's reasonable to expect users to install ASE from gitlab by default. I've added a kwarg to
ase.filters.utils.Relaxer.relax
that fails whenFrechetCellFilter
cannot be imported and the user does not specify and alternateFilter
.Added test coverage for
atomate2.forcefields.utils
to ensure higher Codecov