1D singularity

Description

Adding the support of the treatment of the Coulomb singularity in 1D. This helps the convergence with respect to k-points of Hartree-Fock calculations.

News snippet

Adding the support of the treatment of the Coulomb singularity in 1D.

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 %12.0

added Feature label

@martin.lueders @sohlmann @heiko.appel Would one of you could review this merge request?

assigned to @sohlmann

Codecov Report

Merging #1645 (0a9a15e1) into develop (171ac317) will increase coverage by 0.00%. The diff coverage is 92.15%.

@@           Coverage Diff            @@
##           develop    #1645   +/-   ##
========================================
  Coverage    66.79%   66.80%           
========================================
  Files          539      539           
  Lines        96522    96549   +27     
========================================
+ Hits         64471    64495   +24     
- Misses       32051    32054    +3     

Impacted Files	Coverage Δ
src/hamiltonian/singularity.F90	82.11% <92.00%> (+1.70%)
src/poisson/poisson_fft.F90	68.47% <100.00%> (+0.08%)

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added 1 commit

• d388b457 - Adding a test to cover the new code.

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resolved all threads

approved this merge request

enabled an automatic merge when the pipeline for d388b457 succeeds

aborted the automatic merge because source branch was updated

added 1 commit

• 0a9a15e1 - Adding a test to cover the new code.

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@sohlmann I had to fix a warning. Do you mind approving again this merge request?

approved this merge request

merged

mentioned in commit 15093061