Stable orthogonalization
Description
In case the call to Cholesky fails, we now switch to Gram-Schmidt orthogonalization (for this call only). This avoid crashes of the code and makes it more stable.
News snippet
Making the Cholesky orthogonalization more stable.
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.
Merge request reports
Activity
changed milestone to %9.0
Codecov Report
Merging #480 into develop will decrease coverage by
<.01%
. The diff coverage is40%
.@@ Coverage Diff @@ ## develop #480 +/- ## =========================================== - Coverage 68.71% 68.71% -0.01% =========================================== Files 450 450 Lines 83186 83189 +3 =========================================== + Hits 57164 57165 +1 - Misses 26022 26024 +2
Impacted Files Coverage Δ src/states/states_calc_inc.F90 74.92% <40%> (-0.18%)
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