logsdail / carmm

Scripts for creation, manipulation and analysis of geometric and electronic structure of molecular models
GNU General Public License v3.0
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Calculation restart hotfix #127

Closed ikowalec closed 11 months ago

ikowalec commented 1 year ago

Restarting of the converged calculation no longer resumes in the previous folder

codecov[bot] commented 1 year ago

Codecov Report

Merging #127 (50365bd) into master (890747f) will decrease coverage by 0.03%. The diff coverage is 90.90%.

@@            Coverage Diff             @@
##           master     #127      +/-   ##
==========================================
- Coverage   84.82%   84.80%   -0.03%     
==========================================
  Files          68       68              
  Lines        2702     2705       +3     
==========================================
+ Hits         2292     2294       +2     
- Misses        410      411       +1     
Flag Coverage Δ
unittests 84.80% <90.90%> (-0.03%) :arrow_down:

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Files Changed Coverage Δ
carmm/run/workflows/react.py 76.59% <90.90%> (-0.11%) :arrow_down: