Some minor fixes to the DFT+U code.
Description
Some minor fixes to the DFT+U code:
- Fix linear mixing of auxiliary quantities when they have a different type from the main quantities.
- Fix DFT+U when running in debug mode.
News snippet
Minor fixes to the DFT+U code.
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.
Edited by Micael Oliveira
Merge request reports
Activity
changed milestone to %9.0
added Bug label
marked the checklist item I have checked that my code follows the Octopus coding standards as completed
Codecov Report
Merging #461 into develop will decrease coverage by
<.01%
. The diff coverage is0%
.@@ Coverage Diff @@ ## develop #461 +/- ## =========================================== - Coverage 68.05% 68.04% -0.01% =========================================== Files 454 454 Lines 84041 84044 +3 =========================================== Hits 57190 57190 - Misses 26851 26854 +3
Impacted Files Coverage Δ src/scf/mix_inc.F90 78.32% <0%> (-0.3%)
src/basis_set/loewdin_inc.F90 64.64% <0%> (-1.34%)
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