GFN2: Multipole Electrostatics (AES2)

[marvinfriede]

• Fix moment operator shift for quadrupole integral
• Multipole electrostatics (energy, potential
• Refactor Interaction API
• Fix energies being calculated after mixing (now before mixing, returned energy is now always before mixing)

[codecov]

Codecov Report

Attention: Patch coverage is 80.24691% with 80 lines in your changes missing coverage. Please review.

Project coverage is 84.60%. Comparing base (3436350) to head (e98d79c).
Report is 1 commits behind head on main.

Files with missing lines	Patch %	Lines
.../_src/components/interactions/coulomb/multipole.py	82.85%	31 Missing and 5 partials ⚠️
src/dxtb/_src/scf/unrolling/default.py	39.13%	10 Missing and 4 partials ⚠️
src/dxtb/_src/scf/base.py	53.84%	11 Missing and 1 partial ⚠️
src/dxtb/_src/integral/container.py	61.53%	5 Missing and 5 partials ⚠️
src/dxtb/_src/integral/types/quadrupole.py	80.76%	2 Missing and 3 partials ⚠️
src/dxtb/_src/scf/implicit/default.py	0.00%	3 Missing ⚠️

Additional details and impacted files

@@            Coverage Diff             @@
##             main     #204      +/-   ##
==========================================
+ Coverage   84.08%   84.60%   +0.52%     
==========================================
  Files         200      201       +1     
  Lines        9864    10042     +178     
  Branches     1134     1137       +3     
==========================================
+ Hits         8294     8496     +202     
+ Misses       1216     1185      -31     
- Partials      354      361       +7     

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