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Fix guiding center gamma point bug #223

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merged 3 commits into from
Dec 21, 2018

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jryates
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@jryates jryates commented Dec 21, 2018

Fixes issues #222 Also adds regression test for this bug

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codecov bot commented Dec 21, 2018

Codecov Report

Merging #223 into develop will increase coverage by 0.73%.
The diff coverage is 60%.

Impacted file tree graph

@@             Coverage Diff             @@
##           develop     #223      +/-   ##
===========================================
+ Coverage    61.31%   62.05%   +0.73%     
===========================================
  Files           29       29              
  Lines        17129    17136       +7     
===========================================
+ Hits         10503    10634     +131     
+ Misses        6626     6502     -124
Impacted Files Coverage Δ
src/disentangle.F90 79.92% <100%> (+0.78%) ⬆️
src/wannierise.F90 81.64% <57.14%> (+4.32%) ⬆️
src/parameters.F90 81.71% <0%> (+0.67%) ⬆️
src/kmesh.F90 64.15% <0%> (+3.21%) ⬆️

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@giovannipizzi giovannipizzi left a comment

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Thanks a lot Jonathan!
I just added 2 comments for a leftover print and the corresponding file - could you remove them?
Then I'll approve and merge!

@@ -533,7 +533,8 @@ subroutine internal_find_u_gamma()

u_opt_r(:, :) = real(u_matrix_opt(1:ndimwin(1), 1:num_wann, 1), dp)

a_matrix_r(:, :) = real(a_matrix(:, :, 1), kind=dp)
write (77, *) size(a_matrix_r, 1), size(a_matrix, 1)
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Probably this write is a leftover?

@@ -0,0 +1 @@
21 30
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Probably this file is not needed and can be removed?

@giovannipizzi giovannipizzi self-assigned this Dec 21, 2018
@giovannipizzi giovannipizzi merged commit 4555d4b into wannier-developers:develop Dec 21, 2018
manxkim pushed a commit to manxkim/wannier90 that referenced this pull request Jan 10, 2021
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2 participants