Bugfix: f orbitals in the oct_ylm routine.

Description

Add the missing support of f electrons in the ylmr routine. This affect LCAO and DFT+U parts of the code.

News snippet

Add the missing support of f electrons in the ylmr routine.

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 %10.4

added Bugfix label

changed title from Bugfix: f orbitals in the ylmr routine. to Bugfix: f orbitals in the oct_ylm routine.

added Core label

changed the description

Codecov Report

Merging #1168 (7c64862f) into hotfix-10.4 (0e2be4f8) will decrease coverage by 0.01%. The diff coverage is 100.00%.

@@               Coverage Diff               @@
##           hotfix-10.4    #1168      +/-   ##
===============================================
- Coverage        71.02%   71.01%   -0.02%     
===============================================
  Files              506      506              
  Lines            97629    97645      +16     
===============================================
- Hits             69342    69339       -3     
- Misses           28287    28306      +19     

Impacted Files	Coverage Δ
src/math/ylm.c	70.96% <100.00%> (-29.04%)
src/main/main.F90	92.15% <0.00%> (-1.97%)

---

Continue to review full report at Codecov.

Legend - Click here to learn more Δ = absolute <relative> (impact), ø = not affected, ? = missing data Powered by Codecov. Last update 0e2be4f...7c64862. Read the comment docs.

assigned to @micael.oliveira

@nicolastd It's annoying that we don't have a test that uses f-orbitals. But maybe that is something that should go into develop, not the hotfix.

@micael.oliveira I would prefer not adding this to the hotfix branch, but I can add a test for a single 4f atom if you prefer.

Let's then leave it for later.

resolved all threads

approved this merge request

mentioned in commit b270a916

merged