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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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Change gcmc filename and add crystal name to Henry results #146

Closed Surluson closed 3 years ago

Surluson commented 3 years ago

Some minor changes to the GCMC filename convention we have. \mu -> mu

Also added a key to the Henry result dictionary: "xtal" (same keyword as in the GCMC result dictionary)