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This toolkit is designed to analyze the output of "grand canonical transition matrix Monte Carlo" (GCTMMC) simulations for the adsorption of molecules within zeolites. The GCTMMC software is "The Free Energy and Advanced Sampling Simulation Toolkit' (FEASST) designed by NIST-[https://pages.nist.gov/feasst/]

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GCTMMC_ads_isotherm_toolkit

This toolkit is designed to analyze the output of "grand canonical transition matrix Monte Carlo" (GCTMMC) simulations for the adsorption of molecules within zeolites. The GCTMMC software is "The Free Energy and Advanced Sampling Simulation Toolkit' (FEASST) designed by NIST-[https://pages.nist.gov/feasst/]

The thermodyanmics is followed from-[https://pubs.acs.org/doi/abs/10.1021/jp400480q]

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This toolkit is designed to analyze the output of "grand canonical transition matrix Monte Carlo" (GCTMMC) simulations for the adsorption of molecules within zeolites. The GCTMMC software is "The Free Energy and Advanced Sampling Simulation Toolkit' (FEASST) designed by NIST-[https://pages.nist.gov/feasst/]

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