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SimonEnsemble / PorousMaterials.jl

Julia package towards classical molecular modeling of nanoporous materials
GNU General Public License v3.0
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species_column #141

Closed eahenle closed 4 years ago

eahenle commented 4 years ago

species_column determines the column from which to pull atomic species information. Default is _atom_site_label. Specified column must exist in data.