Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Icc vs energy fix #3128

Merged
merged 7 commits into from
Sep 9, 2019
Merged

Icc vs energy fix #3128

merged 7 commits into from
Sep 9, 2019

Conversation

itischler
Copy link
Contributor

Fixes #3079

Description of changes:

  • changes in virtual sites and icc are now applied in on_observable_calc

PR Checklist

  • Tests?
    • Interface
    • Core
  • Docs?

@RudolfWeeber
Copy link
Contributor

Looks good to me, but the tests say otherwise.
Also, please add a test that checks the intended correction directly, e.g., placing a particle and a related vs and then moving the base particle.

@codecov
Copy link

codecov bot commented Sep 9, 2019

Codecov Report

Merging #3128 into python will increase coverage by <1%.
The diff coverage is 100%.

Impacted file tree graph

@@           Coverage Diff           @@
##           python   #3128    +/-   ##
=======================================
+ Coverage      83%     83%   +<1%     
=======================================
  Files         530     530            
  Lines       26141   26150     +9     
=======================================
+ Hits        21949   21961    +12     
+ Misses       4192    4189     -3
Impacted Files Coverage Δ
src/core/event.cpp 96% <100%> (ø) ⬆️
src/core/electrostatics_magnetostatics/coulomb.cpp 79% <100%> (ø) ⬆️
src/core/communication.cpp 94% <100%> (ø) ⬆️
src/core/statistics.hpp 87% <0%> (+12%) ⬆️

Continue to review full report at Codecov.

Legend - Click here to learn more
Δ = absolute <relative> (impact), ø = not affected, ? = missing data
Powered by Codecov. Last update 72da9ac...207ba31. Read the comment docs.

Copy link
Contributor

@RudolfWeeber RudolfWeeber left a comment

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

bors r+

bors bot added a commit that referenced this pull request Sep 9, 2019
3128: Icc vs energy fix r=RudolfWeeber a=itischler

Fixes #3079 

Description of changes:
 - changes in virtual sites and icc are now applied in on_observable_calc


PR Checklist
------------
 - [ ] Tests?
   - [ ] Interface
   - [ ] Core 
 - [ ] Docs?


Co-authored-by: itischler <ingo.tischler@gmx.de>
@bors
Copy link
Contributor

bors bot commented Sep 9, 2019

Build succeeded

@bors bors bot merged commit 207ba31 into espressomd:python Sep 9, 2019
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

Successfully merging this pull request may close these issues.

ICC and virtual sites not updated for energy and pressure calculation
2 participants