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Torsional move new #164

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Torsional move new #164

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sukanyasasmal
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Description

Have rotatable bond moves available in the latest BLUES code

Todos

Notable points that this PR has either accomplished or will accomplish.

  • Test on reference system
  • Add tests

Status

  • Currently in Draft form

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codecov bot commented Nov 14, 2019

Codecov Report

Merging #164 into master will decrease coverage by 1.7%.
The diff coverage is 12.3%.

@@            Coverage Diff             @@
##           master     #164      +/-   ##
==========================================
- Coverage   53.51%   51.81%   -1.71%     
==========================================
  Files           7        7              
  Lines        1478     1540      +62     
  Branches      266      273       +7     
==========================================
+ Hits          791      798       +7     
- Misses        587      642      +55     
  Partials      100      100
Impacted Files Coverage Δ
blues/moves.py 26.14% <12.3%> (-2.32%) ⬇️

@sukanyasasmal sukanyasasmal marked this pull request as ready for review November 27, 2019 00:49
@sgill2 sgill2 changed the title [wip] - Torsional move new Torsional move new Aug 17, 2020
This was referenced Jul 9, 2022
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2 participants