Wannier90, SCDM, and SOC

Description

Partially fix the implementation of the SCDM method with SOC for the oct-wannier90 utility.

News snippet

Partially fix the implementation of the SCDM method with SOC for the oct-wannier90 utility.

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 Bugfix Feature labels

Codecov Report

Merging #1277 (5f3b5222) into develop (5786d2cc) will increase coverage by 0.00%. The diff coverage is 20.00%.

@@           Coverage Diff            @@
##           develop    #1277   +/-   ##
========================================
  Coverage    65.51%   65.51%           
========================================
  Files          524      524           
  Lines        93363    93364    +1     
========================================
+ Hits         61164    61165    +1     
  Misses       32199    32199           

Impacted Files	Coverage Δ
src/states/states_elec_calc_inc.F90	57.30% <0.00%> (ø)
src/utils/wannier90_interface.F90	52.20% <40.00%> (+0.08%)

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marked this merge request as ready

changed the description

@micael.oliveira Do you think you could have a look at this MR? It contains a bugfix that this useful for the spin polarized case. The spinor case is still not treated properly, but someone needs the fix, so I will finish the spinor case in a separate merge request.

assigned to @micael.oliveira

approved this merge request

@nicolastd Looks good to me, but there's a merge conflict. I'll merge this once that is solved.

added 136 commits

• f1fd6b2d...5786d2cc - 135 commits from branch develop
• 5f3b5222 - A first set of fixes to prevent segmentation faults. This does not make the...

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approved this merge request

enabled an automatic merge when the pipeline for 5f3b5222 succeeds

mentioned in commit ac416997

merged