Fix oep polarized

Description

Fixes the spin indices in the OEP full calculation. The KLI code was wrongly storing everything in oep%vxc(:,1) which led to a wrong mixing for the OEP full case. The code now produces

News snippet

Bugfix for spin polarized OEP full calculation.

Checklist

• I have checked that my code follows the Octopus coding standards
• I have added tests for all the new features added in this request.

changed milestone to %11.0

added Bug label

Codecov Report

Merging #1299 (a4d3e409) into hotfix-10.5 (b9213030) will decrease coverage by 0.00%. The diff coverage is 81.25%.

@@               Coverage Diff               @@
##           hotfix-10.5    #1299      +/-   ##
===============================================
- Coverage        70.70%   70.70%   -0.01%     
===============================================
  Files              506      506              
  Lines            94841    94845       +4     
===============================================
+ Hits             67062    67063       +1     
- Misses           27779    27782       +3     

Impacted Files	Coverage Δ
src/system/xc_oep_inc.F90	91.13% <62.50%> (-1.72%)
src/system/xc_kli_inc.F90	95.61% <100.00%> (ø)
src/system/xc_oep.F90	91.30% <100.00%> (ø)

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added 4 commits

• 42140081 - Fix the unit of the data read by the oct-conductivity utility in case of...
• 027625c7 - In the walltimer test, do not match the message about the walltimer stopping...
• b9213030 - Merge branch 'fix_oct_conductivity' into 'hotfix-10.5'
• 4725bca5 - Fixing the OEP-EXX for the spin polarized case.

Compare with previous version

changed target branch from develop to hotfix-10.5

@micael.oliveira @martin.lueders There seems to be a problem with the config.h comparison for this branch. Do you have any guess why?

@nicolastd Gitlab is telling the buildbot that the target branch is develop, although you changed it. I'll close and open this MR to have the request sent again, hopefully with the right target branch this time.

closed

reopened

Looks like it worked.

@micael.oliveira Thanks for taking care of this.

changed milestone to %10.5

added 1 commit

• a4d3e409 - Fixing the OEP-EXX for the spin polarized case.

Compare with previous version

assigned to @micael.oliveira

approved this merge request

mentioned in commit 604f114a

merged