Hotfix fft 1D 1D
Description
Fix the kernel for 1D periodic FFTs. The G=0 component was not calculated and was using instead G=1. All the other kernel seem the do the pading of frequencies properly.
News snippet
Fix the kernel for 1D periodic FFTs.
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 %9.2
added Bug label
assigned to @micael.oliveira
@nicolastd Changes look good, except that you forgot to declare a variable.
Codecov Report
Merging #761 into hotfix-9.2 will decrease coverage by
0.07%
. The diff coverage is100%
.@@ Coverage Diff @@ ## hotfix-9.2 #761 +/- ## ============================================== - Coverage 69.51% 69.44% -0.08% ============================================== Files 458 458 Lines 86900 86704 -196 ============================================== - Hits 60406 60208 -198 - Misses 26494 26496 +2
Impacted Files Coverage Δ src/poisson/poisson_fft.F90 66.32% <100%> (+0.17%)
src/grid/subarray_inc.F90 46.34% <0%> (-7.32%)
liboct_parser/parser_f.c 79.36% <0%> (-2.39%)
src/basic/mpi_debug_inc.F90 0% <0%> (-1.86%)
src/hamiltonian/libvdwxc.F90 85.5% <0%> (-1.55%)
src/main/unocc.F90 77.98% <0%> (-1.26%)
src/grid/partition.F90 64.02% <0%> (-1.16%)
src/math/nfft.F90 61.01% <0%> (-1.13%)
src/grid/mesh_batch_inc.F90 66.49% <0%> (-1.11%)
src/grid/mesh_partition.F90 82.38% <0%> (-0.83%)
... and 45 more
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mentioned in commit 43603eaa
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