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Stop if scf hits MAXSCF #88

Merged
merged 3 commits into from
Oct 24, 2018
Merged

Stop if scf hits MAXSCF #88

merged 3 commits into from
Oct 24, 2018

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cnegre
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@cnegre cnegre commented Oct 24, 2018

This will stop the calculation if SCF hits the limit.

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codecov bot commented Oct 24, 2018

Codecov Report

Merging #88 into master will increase coverage by <.1%.
The diff coverage is 57.1%.

Impacted file tree graph

@@           Coverage Diff            @@
##           master     #88     +/-   ##
========================================
+ Coverage      48%     48%   +<.1%     
========================================
  Files         198     198             
  Lines       16073   16075      +2     
========================================
+ Hits         7725    7728      +3     
+ Misses       8348    8347      -1
Impacted Files Coverage Δ
src/qconsistency.f90 86.4% <0%> (-0.6%) ⬇️
src/qneutral.f90 52.5% <100%> (+0.4%) ⬆️
src/latteparser_latte_mod.f90 91.3% <100%> (ø) ⬆️
src/latte_lib.f90 47.2% <33.3%> (-0.5%) ⬇️
src/kgradH.f90 53.9% <0%> (+1.3%) ⬆️

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@cnegre cnegre requested a review from nfaguirrec October 24, 2018 17:46
@cnegre cnegre merged commit 7ffcbdd into master Oct 24, 2018
@cnegre cnegre deleted the scfstop branch January 10, 2019 21:50
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2 participants