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

Core: Fix LB profile observable #3607

Merged
merged 1 commit into from
Mar 31, 2020
Merged

Conversation

RudolfWeeber
Copy link
Contributor

Fixes #3603

  • respect min- and max_x,y,z rather than using 0 and box_size
  • remove off-by-one error for the number of sampling positions for certain choices of box size and sampling_delta or offset

This is probably the least invasive way to fix the issue.
LB and particle profile observables are consistent, when using the same min- and max_x,y,z and a sampling_offset of agrid/2.
Alternatively, the sampling_delta parameter could be removed, but then, min_x would have to be set to agrid/2 and max_x to box_l +agrid/2. That's probably more confusing.

* respect min- and max_x,y,z rather than using 0 and box_size
* remove off-by-one error for the number of sampling positions for certain choices of box size and sampling_delta and offset
@codecov
Copy link

codecov bot commented Mar 30, 2020

Codecov Report

Merging #3607 into python will increase coverage by <1%.
The diff coverage is 100%.

Impacted file tree graph

@@           Coverage Diff           @@
##           python   #3607    +/-   ##
=======================================
+ Coverage      87%     87%   +<1%     
=======================================
  Files         525     525            
  Lines       23398   23398            
=======================================
+ Hits        20580   20586     +6     
+ Misses       2818    2812     -6
Impacted Files Coverage Δ
src/core/observables/LBProfileObservable.hpp 100% <100%> (ø) ⬆️
src/core/electrostatics_magnetostatics/p3m.cpp 85% <0%> (ø) ⬆️
src/core/polymer.cpp 98% <0%> (+5%) ⬆️

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 da6259b...161e346. Read the comment docs.

@fweik fweik requested a review from KaiSzuttor March 30, 2020 18:03
@KaiSzuttor KaiSzuttor added the automerge Merge with kodiak label Mar 31, 2020
@kodiakhq kodiakhq bot merged commit 07ebb4e into espressomd:python Mar 31, 2020
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
Projects
None yet
Development

Successfully merging this pull request may close these issues.

LB Profile observables: incorrect interpolation positoins
4 participants