Missing force from nonlinear core correction

Description

Adding the force term from the nonlinear core correction. A test is added.

The following plot shows the improvement on the F2 molecule, with the following parameters (Spacing 0.25 a.u., Radius 9 a.u.).

Fixes #99 (closed)

News snippet

Adding the force term from the nonlinear core correction.

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 %9.0

added 1 commit

• 03266df0 - Fix the name of the test.

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mentioned in merge request !291 (closed)

added 107 commits

• 03266df0...2b73df94 - 105 commits from branch develop
• 6f4798de - Merging with develop.
• 621b4d92 - The NLCC forces are also printed and properly set to zero if there is no NLCC.

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added 1 commit

• c70dc21c - This is the derivative that should enters in the formula.

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added 609 commits

• c70dc21c...9fb13ea7 - 608 commits from branch develop
• 934c06cd - Merge branch 'develop' into 'missing_force_nlcc'

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added 41 commits

• 934c06cd...e645c3c2 - 37 commits from branch develop
• 2377aae1 - Remove a line that was not supposed to be there.
• f6d17059 - Correct a wrong end of line.
• 8f57df6e - Merging with develop.
• 525fb3bc - The NLCC forces should be computed from the xc potential, not the Hxc one.

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added 2 commits

• 56ae358f - Fix a problem due to automatic merging and a line that was too long.
• 58878e28 - Remove the restricting on MoveIons, as the forces are now correct.

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changed the description

Codecov Report

Merging #292 into develop will decrease coverage by 1.89%. The diff coverage is 71.93%.

@@             Coverage Diff             @@
##           develop     #292      +/-   ##
===========================================
- Coverage     69.9%   68.01%    -1.9%     
===========================================
  Files          506      454      -52     
  Lines       132468    83919   -48549     
===========================================
- Hits         92600    57074   -35526     
+ Misses       39868    26845   -13023

Impacted Files	Coverage Δ
src/grid/io_function_inc.F90	61.82% <ø> (+3.27%)	⬆
src/grid/fourier_space_inc.F90	68.29% <ø> (+9.77%)	⬆
src/sternheimer/em_resp.F90	83.75% <ø> (-1.84%)	⬇
src/grid/mesh_function.F90	100% <ø> (ø)	⬆
src/math/matrix_ops_inc.F90	0% <ø> (ø)	⬆
src/hamiltonian/projector.F90	93.63% <ø> (-2.42%)	⬇
src/states/smear.F90	84.54% <ø> (-1.28%)	⬇
src/grid/subarray_inc.F90	55% <ø> (ø)	⬆
src/system/xc_oep_x_inc.F90	96.11% <ø> (-1.13%)	⬇
src/grid/fourier_space.F90	72.09% <ø> (+2.25%)	⬆
... and 520 more

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changed the description

added 1 commit

• 1a6c030d - The test for NLCC forces is updated after the previous fix. The tolerance for...

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added Bug label

merged

mentioned in commit ee1fe3a1

changed the description