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Title: Ideal gas properties from DFT by prehner · Pull Request #263 · feos-org/feos · GitHub

Open Graph Title: Ideal gas properties from DFT by prehner · Pull Request #263 · feos-org/feos

X Title: Ideal gas properties from DFT by prehner · Pull Request #263 · feos-org/feos

Description: This adds the calculation of Henry coefficients and ideal gas enthalpies of adsorption, which can be evaluated without iterations straight from the external potential. Note that this is only possib...

Open Graph Description: This adds the calculation of Henry coefficients and ideal gas enthalpies of adsorption, which can be evaluated without iterations straight from the external potential. Note that this is only possib...

X Description: This adds the calculation of Henry coefficients and ideal gas enthalpies of adsorption, which can be evaluated without iterations straight from the external potential. Note that this is only possib...

Opengraph URL: https://github.com/feos-org/feos/pull/263

X: @github

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Domain: github.com

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