Move the NLCC flag from geometry to epot.

Description

Move the NLCC flag from geometry to epot. Also simplifies some related code and uses BLAS when possible.

News snippet

Move the NLCC flag from geometry to epot.

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 Core label

Codecov Report

Merging #1147 (078e2c4b) into develop (bf826905) will decrease coverage by 0.00%. The diff coverage is 93.75%.

@@             Coverage Diff             @@
##           develop    #1147      +/-   ##
===========================================
- Coverage    70.40%   70.40%   -0.01%     
===========================================
  Files          514      514              
  Lines       102674   102658      -16     
===========================================
- Hits         72287    72272      -15     
+ Misses       30387    30386       -1     

Impacted Files	Coverage Δ
src/ions/geometry.F90	70.03% <ø> (-0.04%)
src/maxwell/system_mxll.F90	83.52% <ø> (-0.13%)
src/hamiltonian/species_pot.F90	71.52% <66.66%> (ø)
src/hamiltonian/epot.F90	80.68% <95.65%> (-0.67%)
src/electrons/electrons.F90	65.21% <100.00%> (ø)
src/electrons/xc_ks_inversion.F90	62.44% <100.00%> (ø)
src/hamiltonian/hamiltonian_elec.F90	78.43% <100.00%> (ø)
src/output/output.F90	76.23% <100.00%> (ø)
src/states/states_elec.F90	82.84% <100.00%> (-0.06%)
src/sternheimer/phonons_lr.F90	74.81% <100.00%> (ø)

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added 91 commits

• 19301bb1...bf826905 - 89 commits from branch develop
• d4cd7b3d - Move the NLCC flag from geometry to epot.
• 078e2c4b - Make sure nlcc flag is always initialized.

Compare with previous version

assigned to @micael.oliveira

approved this merge request

enabled an automatic merge when the pipeline for 078e2c4b succeeds

mentioned in commit 44221003

merged