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Add the 2CLJ + polar model from Gross & Vrabec #120

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ianhbell opened this issue Apr 16, 2024 · 3 comments
Open

Add the 2CLJ + polar model from Gross & Vrabec #120

ianhbell opened this issue Apr 16, 2024 · 3 comments

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@ianhbell
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It was parameterized based on this non-polar contribution so maybe we should be consistent
@ianhbell
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ianhbell commented Apr 27, 2024 •
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That other model added by @svenpohl1991 is worth comparing against as well...

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ianhbell commented Jun 3, 2024

See also #128

@ianhbell ianhbell added this to the 0.20.0 milestone Jun 14, 2024
@ianhbell ianhbell removed this from the 0.20.0 milestone Jun 21, 2024
ianhbell added a commit that referenced this issue Jul 21, 2024
@ianhbell
Add 2CLJF model (no polar term)
69a4c63 
See #120
@ianhbell
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So just the polar part is missing; the two-center nonpolar part is implemented

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