Pauli model in transport

[bhourahine]

Rebase and update spin-transport branch.

[x] - Update to current main code
[ ] - Transport geometry working correctly
[ ] - Debug forces in GaAs regression case against closed boundaries
[ ] - Transport case(s) for regression
[ ] - Partial densites etc. debugging

[codecov]

Codecov Report

Patch coverage: 92.06% and project coverage change: +0.12 🎉

Comparison is base (79a491a) 69.71% compared to head (171b557) 69.83%.

Additional details and impacted files

@@            Coverage Diff             @@
##             main    #1254      +/-   ##
==========================================
+ Coverage   69.71%   69.83%   +0.12%     
==========================================
  Files         226      226              
  Lines       42243    42435     +192     
==========================================
+ Hits        29450    29636     +186     
- Misses      12793    12799       +6     

Impacted Files	Coverage Δ
src/dftbp/dftb/shift.F90	56.70% <ø> (ø)
src/dftbp/type/parallelks.F90	88.88% <ø> (ø)
src/dftbp/dftbplus/transportio.F90	42.39% <33.33%> (+0.26%)	⬆️
src/dftbp/dftbplus/initprogram.F90	82.88% <50.00%> (-0.01%)	⬇️
src/dftbp/transport/negfint.F90	57.43% <74.50%> (+0.82%)	⬆️
src/dftbp/dftbplus/parser.F90	77.76% <90.00%> (-0.01%)	⬇️
src/dftbp/dftbplus/main.F90	90.79% <91.66%> (+0.01%)	⬆️
src/dftbp/dftb/spinorbit.F90	100.00% <100.00%> (ø)
src/dftbp/transport/matconv.F90	61.83% <100.00%> (+21.33%)	⬆️

... and 2 files with indirect coverage changes

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