DFT+U+V commutator with spinors

Description

Adding the support of the commutator of the position operator and the +U+V nonlocal operator for spinors. Tests are added to cover the DFT+U+V with spinors.

News snippet

Adding the support of the commutator of the position operator and the +U+V nonlocal operator for spinors.

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

added 1 commit

• 68927aec - Adding tests for GS and TD DFT+U+V with spinors.

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Codecov Report

Merging #1513 (76c020cf) into develop (b0cf458b) will increase coverage by 0.13%. The diff coverage is 59.37%.

@@             Coverage Diff             @@
##           develop    #1513      +/-   ##
===========================================
+ Coverage    66.55%   66.68%   +0.13%     
===========================================
  Files          538      538              
  Lines        95178    95188      +10     
===========================================
+ Hits         63341    63479     +138     
+ Misses       31837    31709     -128     

Impacted Files	Coverage Δ
src/hamiltonian/lda_u_inc.F90	83.25% <59.37%> (+9.07%)
src/td/td_write.F90	63.14% <0.00%> (+2.46%)
src/electrons/current.F90	45.01% <0.00%> (+2.55%)

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added 1 commit

• 5587c303 - Adding tests for GS and TD DFT+U+V with spinors.

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added 1 commit

• 3c502a46 - Disable the test for GPUs as otherwise we are getting the error 'Opencl...

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assigned to @micael.oliveira

added 1 commit

• a30fa01b - Disable the test for GPUs as otherwise we are getting the error 'Opencl...

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resolved all threads

approved this merge request

enabled an automatic merge when the pipeline for a30fa01b succeeds

@nicolastd The test you added is giving quite large deviations on the GPU's.

aborted the automatic merge because source branch was updated

added 1 commit

• b079d905 - Splitting the intersite test into two separate tests.

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resolved all threads

approved this merge request

enabled an automatic merge when the pipeline for b079d905 succeeds

aborted the automatic merge because source branch was updated

added 490 commits

• b079d905...b0cf458b - 486 commits from branch develop
• 6089e784 - Adding the support of the commutator of the position operator and the +U+V...
• f0a54570 - Adding tests for GS and TD DFT+U+V with spinors.
• c985d86c - Disable the test for GPUs as otherwise we are getting the error 'Opencl...
• 45ad6d90 - Splitting the intersite test into two separate tests.

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added 1 commit

• 76c020cf - Splitting the intersite test into two separate tests.

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@micael.oliveira This should be ready to be merged now.

approved this merge request

merged

mentioned in commit 4b5c153c