openmopac / mopac

Molecular Orbital PACkage
http://openmopac.net
GNU Lesser General Public License v3.0
111 stars 31 forks source link

February updates from Jimmy #147

Closed godotalgorithm closed 1 year ago

godotalgorithm commented 1 year ago

A few minor updates from Jimmy at the end of last month, delayed on my end.

Status

codecov-commenter commented 1 year ago

Codecov Report

Merging #147 (cb1a002) into main (f44ac9e) will increase coverage by 0.00%. The diff coverage is 78.26%.

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@@           Coverage Diff           @@
##             main     #147   +/-   ##
=======================================
  Coverage   66.67%   66.68%           
=======================================
  Files         331      331           
  Lines       73714    73720    +6     
=======================================
+ Hits        49152    49158    +6     
  Misses      24562    24562           
Impacted Files Coverage Δ
src/input/getgeo.F90 60.04% <0.00%> (ø)
src/input/getdat.F90 43.62% <69.23%> (+0.70%) :arrow_up:
src/input/readmo.F90 55.30% <100.00%> (+0.03%) :arrow_up:
src/models/calpar.F90 96.86% <100.00%> (+0.01%) :arrow_up:
src/output/pdbout.F90 88.48% <100.00%> (+0.02%) :arrow_up:

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