Enable imaginary absorbing boundaries on GPUs

Description

Implement the local potential kernel for complex potentials for all spin cases and use it in the right place.

News

Enable imaginary absorbing boundaries on GPUs

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 GPU labels

@micael.oliveira @nicolastd I think we don't have a test for this right now in the testsuite. What would be the best test to start from for creating a new one?

added 1 commit

• 76b8f814 - Enable imaginary absorbing boundaries on GPUs

Compare with previous version

added 1 commit

• be09a5ed - Enable imaginary absorbing boundaries on GPUs

Compare with previous version

Codecov Report

Merging #1643 (767b622a) into develop (2c330aa1) will increase coverage by 0.19%. The diff coverage is 81.03%.

@@             Coverage Diff             @@
##           develop    #1643      +/-   ##
===========================================
+ Coverage    66.73%   66.92%   +0.19%     
===========================================
  Files          538      538              
  Lines        96349    96112     -237     
===========================================
+ Hits         64299    64324      +25     
+ Misses       32050    31788     -262     

Impacted Files	Coverage Δ
src/hamiltonian/hamiltonian_elec.F90	75.22% <ø> (+0.69%)
src/hamiltonian/hamiltonian_elec_base_inc.F90	73.07% <78.00%> (-0.26%)
src/basic/accel.F90	78.53% <100.00%> (+0.11%)
src/hamiltonian/hamiltonian_elec_base.F90	89.30% <100.00%> (+0.34%)
src/opt_control/check_input_inc.F90	23.38% <0.00%> (+0.18%)
src/td/pes_out.F90	12.09% <0.00%> (+0.23%)
src/td/td.F90	69.88% <0.00%> (+0.31%)
src/basic/parser.F90	73.57% <0.00%> (+0.52%)
src/opt_control/opt_control_iter.F90	86.25% <0.00%> (+0.53%)
... and 20 more

---

Continue to review full report at Codecov.

Legend - Click here to learn more Δ = absolute <relative> (impact), ø = not affected, ? = missing data Powered by Codecov. Last update 2c330aa...767b622. Read the comment docs.

added 1 commit

• cabe9b3f - Enable imaginary absorbing boundaries on GPUs

Compare with previous version

marked this merge request as draft

added 1 commit

• 767b622a - Add regression test for absorbing boundaries

Compare with previous version

marked this merge request as ready

marked the checklist item I have added tests for all the new features added in this request. as completed

assigned to @heiko.appel

resolved all threads

approved this merge request

merged

mentioned in commit 779a3abb