Encapsulate `lxyz` and `lxyz_inv`

Description

Replace access to lxyz and lxyz_inv arrays by using the functions index_to_coords and index_from_coords in most parts of the code. This encapsulates the details of lxyz and makes it easier to adapt.

Checklist

• I have checked that my code follows the Octopus coding standards

changed milestone to %11.0

added Refactoring label

Codecov Report

Merging #1138 (df84e6ef) into develop (88019f8a) will decrease coverage by 0.00%. The diff coverage is 80.00%.

@@             Coverage Diff             @@
##           develop    #1138      +/-   ##
===========================================
- Coverage    70.13%   70.13%   -0.01%     
===========================================
  Files          515      515              
  Lines       102769   102783      +14     
===========================================
+ Hits         72081    72088       +7     
- Misses       30688    30695       +7     

Impacted Files	Coverage Δ
src/grid/boundaries.F90	90.07% <ø> (ø)
src/grid/mesh_interpolation.F90	90.90% <ø> (ø)
src/grid/nl_operator.F90	65.74% <0.00%> (-0.34%)
src/hamiltonian/scdm_inc.F90	0.00% <0.00%> (ø)
src/grid/io_function_inc.F90	60.88% <33.33%> (ø)
src/grid/boundaries_inc.F90	78.77% <55.55%> (-0.17%)
src/grid/symmetrizer.F90	94.44% <71.42%> (-3.60%)
src/grid/double_grid.F90	81.48% <100.00%> (+0.23%)
src/grid/mesh.F90	73.15% <100.00%> (+0.14%)
src/grid/mesh_interpolation_inc.F90	97.41% <100.00%> (ø)
... and 9 more

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assigned to @micael.oliveira

@sohlmann Are there more places in the code where we are accessing lxyz and lxyz_inv? If not, shall we make them private?

We use lxyz_inv in nl_operator for the GPU part. We would need to port this first, but I haven't looked at the details there.

Moreover, we would need to merge the mesh initialization into the main mesh module to make it private. But I would be in favor!

And also in SCDM, where lxyz and lxyz_inv are set and used - I am not sure what exactly happens there.

As I just saw, lxyz_inv is only used for OperateAccel = nomap in the NL operator which is not default and marked as experimental.

Okay, looks like this would require some further changes, so for the moment I think we should keep them public. In any case, thanks for checking this and let's keep this in mind for later.

approved this merge request

resolved all threads

merged

mentioned in commit f72dff49