Allow Multi-species GCMC Simulations

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 Simulations #169

Closed ngantzler closed 3 years ago

ngantzler commented 3 years ago

This branch allows for a multi-component gas to be simulated and should be compatible with existing simulation scripts. Benchmark tests have been run.

SimonEnsemble commented 3 years ago

@ngantzler, @eahenle merged a major PR. can you pull that PR into this then fix the conflicts so we can merge this? no rush at all!