spirit-code / spirit

Atomistic Spin Simulation Framework

http://spirit-code.github.io

MIT License

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Feature top charge pb #424

Closed MSallermann closed 5 years ago

MSallermann commented 6 years ago

First time contributor checklist

[x] I have read the README
[x] I have read the CONTRIBUTING document

Contributor checklist

[x] I have branched from the develop branch
[x] My commits are in nice logical chunks
[x] My contribution is fully baked and is ready to be merged as is or I have cleanly laid out what this pull request should achieve in the end

Description

Reimplemented the calculation of the topological charge in a way that correctly considers periodic (and open) boundary conditions of two-dimensional geometries in the xy plane. A problem could be #423 as the method may incorrectly deem some geometries not two-dimensional.

coveralls commented 6 years ago

Coverage remained the same at 84.545% when pulling fd25a84d74cdc0305fe68a57fdf0262f5356c4c6 on MSallermann:feature-Top-Charge-PB into 1737389d25600b539b770b5d29c117d3fe9828a8 on spirit-code:develop.

codecov[bot] commented 6 years ago

Codecov Report

Merging #424 into develop will decrease coverage by 0.11%. The diff coverage is 90.19%.

@@             Coverage Diff             @@
##           develop     #424      +/-   ##
===========================================
- Coverage    51.57%   51.46%   -0.12%     
===========================================
  Files           90       90              
  Lines         9816     9842      +26     
===========================================
+ Hits          5063     5065       +2     
- Misses        4753     4777      +24

GPMueller commented 5 years ago

You set this PR to merge into the master branch of spirit. Please switch it over to develop.