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openmopac / mopac

Molecular Orbital PACkage
http://openmopac.net
GNU Lesser General Public License v3.0
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TS bug fix #56

Closed godotalgorithm closed 2 years ago

godotalgorithm commented 2 years ago

Fixes the bugs reported in #54 and #47.

Status

codecov-commenter commented 2 years ago

Codecov Report

Merging #56 (59ade86) into main (fb8e8b5) will increase coverage by 0.00%. The diff coverage is 72.41%.

@@           Coverage Diff           @@
##             main      #56   +/-   ##
=======================================
  Coverage   68.22%   68.22%           
=======================================
  Files         330      330           
  Lines       71690    71695    +5     
=======================================
+ Hits        48912    48917    +5     
  Misses      22778    22778
Impacted Files Coverage Δ
src/chemistry/chklew.F90 72.50% <33.33%> (-0.99%) :arrow_down:
src/forces/force.F90 79.91% <50.00%> (+0.04%) :arrow_up:
src/reactions/ef.F90 70.75% <76.36%> (ø)
src/input/gettxt.F90 55.64% <88.23%> (+1.02%) :arrow_up:
src/solvation/cosmo.F90 90.59% <100.00%> (+<0.01%) :arrow_up:

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