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Fix disentanglement bug after introduction of parallel routines #193

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giovannipizzi
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This fixes #192 (see discussion there for details of the bug).
This PR also adds a test to verify the problem is solved.

The error was occurring only with specific band structures
where only some kpoints had more bands than WFs - I think
this is why we didn't notice it before
@giovannipizzi giovannipizzi requested review from jryates and mostofi July 24, 2018 16:50
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codecov bot commented Jul 24, 2018

Codecov Report

Merging #193 into develop will decrease coverage by <.01%.
The diff coverage is 75%.

Impacted file tree graph

@@             Coverage Diff             @@
##           develop     #193      +/-   ##
===========================================
- Coverage    57.99%   57.99%   -0.01%     
===========================================
  Files           27       27              
  Lines        16052    16051       -1     
===========================================
- Hits          9310     9309       -1     
  Misses        6742     6742
Impacted Files Coverage Δ
src/comms.F90 49.55% <0%> (ø) ⬆️
src/disentangle.F90 78.79% <100%> (-0.02%) ⬇️

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@jryates jryates merged commit 2a6a7b3 into wannier-developers:develop Jul 24, 2018
@giovannipizzi giovannipizzi deleted the fix_192_disentanglement_bug branch August 29, 2018 09:28
manxkim pushed a commit to manxkim/wannier90 that referenced this pull request Jan 10, 2021
…disentanglement_bug

Fix disentanglement bug after introduction of parallel routines
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Issue with disentanglement
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