spirit-code / spirit

Atomistic Spin Simulation Framework

http://spirit-code.github.io

MIT License

118 stars 52 forks source link

repair Image_Write_Energy_per_Spin and include it into the python int… #557

Closed patrick432 closed 4 years ago

patrick432 commented 4 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

This repairs the previously broken "Save Energy per Spin" function and adds a python interface to call it.

coveralls commented 4 years ago

Coverage increased (+0.003%) to 79.329% when pulling 12fb122712eb1fa0fdfe87cf7abd9cb09e639afb on patrick432:energy-per-spins-repair into ac3b318785abbcb20f7d56965deaded0cf095929 on spirit-code:develop.

codecov[bot] commented 4 years ago

Codecov Report

Merging #557 into develop will decrease coverage by 0.00%. The diff coverage is 0.00%.

@@             Coverage Diff             @@
##           develop     #557      +/-   ##
===========================================
- Coverage    50.07%   50.06%   -0.01%     
===========================================
  Files           88       88              
  Lines        10135    10136       +1     
===========================================
  Hits          5075     5075              
- Misses        5060     5061       +1

MSallermann commented 4 years ago

Looking good. Thank you!