mask in cell minim and option to pick just last config from minim

libAtoms / workflow

python workflow toolkit

GNU General Public License v2.0

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Closed bernstei closed 9 months ago

bernstei commented 9 months ago

Switch ExpCellFilter to FrechetCellFilter, and add stress_mask

Add "last" (not just "last_converged") as optimize traj_subselect method.