Add the possibility to print k-point resolved eigenvalues.
Description
Add the possibility to print k-point resolved eigenvalues.
News snippet
Add the possibility to print k-point resolved eigenvalues.
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 %12.0
added Feature label
Codecov Report
Merging #1606 (5949d942) into develop (b0cf458b) will increase coverage by
0.00%
. The diff coverage is80.00%
.@@ Coverage Diff @@ ## develop #1606 +/- ## ======================================== Coverage 66.55% 66.55% ======================================== Files 538 538 Lines 95178 95182 +4 ======================================== + Hits 63341 63352 +11 + Misses 31837 31830 -7
Impacted Files Coverage Δ src/basic/global.F90 85.24% <ø> (ø)
src/grid/io_function.F90 69.29% <ø> (ø)
src/grid/vtk_inc.F90 24.87% <0.00%> (ø)
src/output/output_h_inc.F90 55.27% <100.00%> (+1.13%)
src/td/pes_flux.F90 77.60% <0.00%> (+0.19%)
src/math/lalg_adv_lapack_inc.F90 38.33% <0.00%> (+0.92%)
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- d97bd256 - Add the possibility to print k-point resolved eigenvalues.
@nicolastd Could you add this new option to one of the test files and a couple of matches?
@micael.oliveira I added a test and some matches. As the format is VTK, I only added matches for the header.
assigned to @micael.oliveira
mentioned in commit e0e67f2f