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Remove Langevin noise correlation #3355
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Remove duplicate Doxygen blocks, updated outdated docs, cleanup Doxygen syntax, add cross-links.
Remove correlation between translation noise and rotation noise in the Langevin thermostat.
Co-authored-by: Rudolf Weeber <[email protected]>
@RudolfWeeber I can't get |
Please use kT <=1.5 |
@RudolfWeeber the failing |
The failure is due to bad statistics. See #3360, there is no problem. Also this is just thermalized degrees of freedom friction-coupled to other thermalized degrees of freedom, so this should work. This is no different than coupling to a thermalized LB fluid. |
Codecov Report
@@ Coverage Diff @@
## python #3355 +/- ##
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+ Coverage 86% 86% +<1%
=======================================
Files 537 537
Lines 25283 25283
=======================================
+ Hits 21756 21758 +2
+ Misses 3527 3525 -2
Continue to review full report at Codecov.
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@fweik @KaiSzuttor Thanks! |
bors r=RudolfWeeber |
3355: Remove Langevin noise correlation r=RudolfWeeber a=jngrad Fixes #3343 Description of changes: - decoupled translational and rotational Langevin RNG seeds - add a test for Langevin noise correlation - cleanup docs Co-authored-by: Jean-Noël Grad <[email protected]> Co-authored-by: Florian Weik <[email protected]>
Build succeeded |
Fixes #3343
Description of changes: