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Fix issue 486 - in correct sign of the y component of the spin moments #487

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nils-wittemeier
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Fix issue #486 - in correct sign of the y component of the spin moments

@zerothi
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zerothi commented Sep 21, 2022

Did you check with siesta values?

@zerothi
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zerothi commented Sep 21, 2022

I added a new commit which also fixes PDOS calculation. :)

Could you have a look?

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codecov bot commented Sep 21, 2022

Codecov Report

Merging #487 (fb96314) into main (3f11290) will not change coverage.
The diff coverage is 100.00%.

❗ Current head fb96314 differs from pull request most recent head 623ed2c. Consider uploading reports for the commit 623ed2c to get more accurate results

@@           Coverage Diff           @@
##             main     #487   +/-   ##
=======================================
  Coverage   86.92%   86.92%           
=======================================
  Files         346      346           
  Lines       44324    44324           
=======================================
  Hits        38527    38527           
  Misses       5797     5797           
Impacted Files Coverage Δ
sisl/physics/electron.py 77.17% <100.00%> (ø)

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@nils-wittemeier
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The commit for the PDOS calculations looks good to me.

@zerothi zerothi force-pushed the 486-sign-of-the-y-component-of-spin-moments-may-be-wrong branch from b67ef2f to 623ed2c Compare September 22, 2022 19:21
@zerothi
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zerothi commented Sep 22, 2022

Thanks!!

Next time, please ensure you have a clean main, i.e. your main was several commits behind :)

@zerothi zerothi merged commit a14a79d into zerothi:main Sep 22, 2022
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2 participants