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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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Allow Multi-species GCMC #189

Closed ngantzler closed 1 year ago

ngantzler commented 2 years ago

This feature branch allows for multi-species GCMC. It incorporates adaptive step transitions along with the possibility of a molecule to undergo "identity change" as a MC move.