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This PR consists changes made by Eric to colabfit io. List of changes:
Edited functions:
Dataset.from_colabfit
Dataset.add_from_colabfit
Dataset._read_from_coabfit
Configuration.from_colabfit
Added functions:
Configuration.to_ase_atoms
: converts KLIFF configuration to ASE atoms configuration. Used for storing the KLIFF dataset back to Colabfit.Other changes:
using from
chemical_symbols
ase.data