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Add Widom insertion #34

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Add Widom insertion #34

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@chiang-yuan chiang-yuan commented Dec 20, 2024 •
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This PR implements the Widom insertion algorithm proposed in DAC-SIM to calculate Henry's coefficient and adsorption heat of molecules into MOFs.

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chiang-yuan commented Dec 22, 2024
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These are some minor changes for housekeeping 🧹

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@chiang-yuan @hspark1212