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henry_coefficient results dict missing info #211

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eahenle opened this issue Dec 20, 2021 · 1 comment
Open

henry_coefficient results dict missing info #211

eahenle opened this issue Dec 20, 2021 · 1 comment

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@eahenle
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eahenle commented Dec 20, 2021

the results dictionary should contain the info in the file name (e.g. the name of the gas species) to make dealing with them simpler
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eahenle commented Feb 1, 2022

also, muVT results should contain ALL parameters used in the simulation. Currently, there is no way to tell what mixing rules, equation of state, or cutoff distance were used, and this can lead to dissimilar simulation results becoming intractably comingled

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