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Equation in the manual (Gay-Berne interaction) has a slight error #2230

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Kischy opened this issue Sep 5, 2018 · 1 comment
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Equation in the manual (Gay-Berne interaction) has a slight error #2230

Kischy opened this issue Sep 5, 2018 · 1 comment

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@Kischy
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Kischy commented Sep 5, 2018

http://espressomd.org/html/doc4.0/inter_non-bonded.html#gay-berne-interaction

There is a slight mistake in the fourth equation of this chapter:
The first part of the right side of the equation there is written as:

grafik

It should be

grafik

according to J. G. Gay, J. Chem. Phys. 1981, 74, 3316. (equation 3 in this paper, also equation 8 of the paper).

The dot product is squared in the original equation.

In the code (gb.hpp) it seems to be correct.

Is this the right place to post this?

@fweik
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fweik commented Sep 6, 2018

Yes, this is the right place. Thank you!

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