Non-collinear hybrids for molecules

[bhourahine]

Hybrid functionals with non-collinear/spin-orbit calculations for molecules in serial

• Two component H, populations and q0 subtraction
• y and z polarized case match
• x polarized case
• Mixers (issue for 1+z matrices having larger error than 1 + {x,z} as elements are just larger)
• Forces

[codecov]

Codecov Report

Attention: Patch coverage is 62.90323% with 46 lines in your changes are missing coverage. Please review.

Project coverage is 70.82%. Comparing base (e431809) to head (f579025).
Report is 22 commits behind head on main.

❗ Current head f579025 differs from pull request most recent head a179b26. Consider uploading reports for the commit a179b26 to get more accurate results

Files	Patch %	Lines
src/dftbp/dftb/populations.F90	28.57%	30 Missing ⚠️
src/dftbp/dftbplus/main.F90	68.57%	11 Missing ⚠️
src/dftbp/dftbplus/initprogram.F90	68.75%	5 Missing ⚠️

Additional details and impacted files

@@            Coverage Diff             @@
##             main    #1428      +/-   ##
==========================================
- Coverage   70.84%   70.82%   -0.03%     
==========================================
  Files         231      231              
  Lines       44186    44288     +102     
==========================================
+ Hits        31303    31365      +62     
- Misses      12883    12923      +40     

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