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Make 5 angstroms the default cutoff radius for voronoi neighbor list. #86

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merged 19 commits into from
Mar 22, 2019

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jboes
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@jboes jboes commented Mar 22, 2019

  • Some additional merges with local master.
  • addition of get_baysian_neb to catflow
  • version bump to 0.5.4

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coveralls commented Mar 22, 2019

Pull Request Test Coverage Report for Build 323

  • 18 of 128 (14.06%) changed or added relevant lines in 9 files are covered.
  • 2 unchanged lines in 1 file lost coverage.
  • Overall coverage decreased (-1.8%) to 64.057%

Changes Missing Coverage Covered Lines Changed/Added Lines %
catkit/gen/utils/coordinates.py 6 10 60.0%
catkit/flow/fwio.py 1 6 16.67%
catkit/flow/laminar.py 0 8 0.0%
catkit/flow/fwase.py 1 15 6.67%
catkit/gen/adsorption.py 4 83 4.82%
Files with Coverage Reduction New Missed Lines %
catkit/gen/surface.py 2 83.07%
Totals Coverage Status
Change from base Build 321: -1.8%
Covered Lines: 2201
Relevant Lines: 3436

💛 - Coveralls

@jboes jboes merged commit 61300bb into SUNCAT-Center:master Mar 22, 2019
@jboes jboes mentioned this pull request Mar 22, 2019
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3 participants