search

nlesc-nano / auto-FOX

A library for analyzing potential energy surfaces (PESs) and using the resulting PES descriptors for constructing forcefield parameters.
GNU Lesser General Public License v3.0
9 stars 8 forks source link

ENH: Use the bond length rather than the bond order in the `sparse_bond_matrix` output #236

Closed BvB93 closed 3 years ago

codecov[bot] commented 3 years ago

Codecov Report

Merging #236 (2e2b580) into master (f04dfef) will decrease coverage by 0.04%. The diff coverage is 0.00%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master     #236      +/-   ##
==========================================
- Coverage   76.64%   76.59%   -0.05%     
==========================================
  Files          64       64              
  Lines        6666     6666              
  Branches     1174     1174              
==========================================
- Hits         5109     5106       -3     
- Misses       1250     1252       +2     
- Partials      307      308       +1
Impacted Files Coverage Δ
FOX/ff/degree_of_separation.py 88.67% <0.00%> (ø)
FOX/armc/armc_pt.py 85.00% <0.00%> (-2.50%) :arrow_down:

Continue to review full report at Codecov.

Legend - Click here to learn more Δ = absolute <relative> (impact), ø = not affected, ? = missing data Powered by Codecov. Last update f04dfef...2e2b580. Read the comment docs.