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Around keyword can use KDTree for periodic boundary conditions#2022

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richardjgowers merged 3 commits intoMDAnalysis:developfrom
ayushsuhane:selections
Aug 5, 2018
Merged

Around keyword can use KDTree for periodic boundary conditions#2022
richardjgowers merged 3 commits intoMDAnalysis:developfrom
ayushsuhane:selections

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@ayushsuhane
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@ayushsuhane ayushsuhane commented Aug 4, 2018

Around keyword only used _apply_distmat if periodic keyword was active. Both brute force and kdtree routines can be used now for PBC and non-PBC calculations

Fixes partly #974

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  • Tests?
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  • CHANGELOG updated?
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@richardjgowers
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Can you rebase, the failures are unrelated

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codecov bot commented Aug 4, 2018

Codecov Report

❗ No coverage uploaded for pull request base (develop@6b74bac). Click here to learn what that means.
The diff coverage is 100%.

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@@            Coverage Diff             @@
##             develop    #2022   +/-   ##
==========================================
  Coverage           ?   88.45%           
==========================================
  Files              ?      143           
  Lines              ?    17225           
  Branches           ?     2637           
==========================================
  Hits               ?    15237           
  Misses             ?     1389           
  Partials           ?      599
Impacted Files Coverage Δ
package/MDAnalysis/core/selection.py 99.36% <100%> (ø)

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@richardjgowers richardjgowers merged commit f92ec5d into MDAnalysis:develop Aug 5, 2018
@ayushsuhane ayushsuhane deleted the selections branch August 5, 2018 19:50
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