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@prehner prehner commented Apr 17, 2024

Ideally, the iterative calculation of the fractions of non-bonded association sites should be implemented only once. Different SAFT models, however, use different parameters and different expressions for the association strength.

The implementation is still block by the merging of the two new models

@prehner prehner force-pushed the association_rewrite branch from ade3d01 to d6a9229 Compare April 19, 2024 07:10
@prehner prehner marked this pull request as ready for review April 19, 2024 11:02
@prehner prehner merged commit 83088e2 into main Apr 19, 2024
@prehner prehner deleted the association_rewrite branch April 19, 2024 16:46
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3 participants