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missing coulomb prefactors in ELCIC #3731

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merged 1 commit into from
May 25, 2020

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reinaual
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Fixes #3722

@fweik
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fweik commented May 25, 2020

Ah thank you. I missed that the ELC energy is added on a different path.

@jngrad jngrad added this to the Espresso 4.1.3 milestone May 25, 2020
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codecov bot commented May 25, 2020

Codecov Report

Merging #3731 into python will increase coverage by 0%.
The diff coverage is 100%.

Impacted file tree graph

@@          Coverage Diff           @@
##           python   #3731   +/-   ##
======================================
  Coverage      88%     88%           
======================================
  Files         551     551           
  Lines       24669   24669           
======================================
+ Hits        21771   21781   +10     
+ Misses       2898    2888   -10     
Impacted Files Coverage Δ
src/core/electrostatics_magnetostatics/coulomb.cpp 78% <100%> (ø)
src/core/electrostatics_magnetostatics/elc.cpp 97% <100%> (+1%) ⬆️
src/core/polymer.cpp 92% <0%> (-7%) ⬇️
src/core/electrostatics_magnetostatics/p3m.cpp 87% <0%> (+<1%) ⬆️

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@fweik fweik added the automerge Merge with kodiak label May 25, 2020
@kodiakhq kodiakhq bot merged commit 724ea3d into espressomd:python May 25, 2020
@reinaual reinaual deleted the ELCprefactor branch May 25, 2020 18:39
kodiakhq bot added a commit that referenced this pull request May 26, 2020
in #3731 i introduced a violation of the charge free space_layer by the second particle in the testcase. Numerically this is not a problem because the dielectric constrast in this space layer was set to zero.
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ELC self-forces do not obey Coulomb prefactor.
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