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Bug in Cylindrical observables


From: Jean-Noël Grad
Subject: Bug in Cylindrical observables
Date: Fri, 15 Jan 2021 20:39:16 +0100
User-agent: Mozilla/5.0 (X11; Linux i686; rv:68.0) Gecko/20100101 Thunderbird/68.12.0

Dear ESPResSo users,

It has come to our attention that the Cartesian to Cylindrical coordinate conversion code was calculating an incorrect angle phi. The bug is present since ESPResSo 4.0.0 and affects the phi component of the following observables:

* CylindricalVelocityProfile
* CylindricalFluxDensityProfile
* CylindricalLBVelocityProfile
* CylindricalLBVelocityProfileAtParticlePositions
* CylindricalLBFluxDensityProfileAtParticlePositions

This will be fixed in the upcoming release 4.2.0 (PR #4094).

If you rely on the value of the angle phi from these observables in your simulations, you can update ESPResSo 4.1.4 locally with the following git commands:

git remote add upstream https://github.com/espressomd/espresso.git
git fetch upstream pull/4096/head:pr-4096
git merge --ff-only pr-4096

Best regards,
Jean-Noël Grad



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