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Prune small finite elements from cavity #178

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merged 8 commits into from
Feb 14, 2019

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robertodr
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Implements removal of finite elements with too small area (<= 1.0d-04) These finite elements can cause the calculation of the S and D matrices to be numerically unstable. For example, the S matrix can end not being symmetric positive-definite.
I've also split the printing of the citation and set up report into two separate functions.

Types of changes

  • Bug fix (non-breaking change which fixes an issue)
  • New feature (non-breaking change which adds functionality)
  • Breaking change (fix or feature that would cause existing functionality to change)

Status

  • Ready to go

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MinazoBot commented Feb 8, 2019

1 Warning
⚠️ Consider adding supporting documentation to this change. Documentation sources can be found in the doc directory.

Generated by 🚫 Danger

@robertodr robertodr changed the title Build within pipenv in .travis.yml Prune small finite elements from cavity Feb 9, 2019
Tesserae with area less than 1.0d-4 AU^2 are pruned from the finite elements
list. These finite elements cause numerical instabilities in the formation
of the S matrix.
Versioning can be computed correctly even when PCMSolver is hard-copied into
another Git repository. `__is_hard_copy = True` should be added to the copy
of `tools/metadata.py` for this to work correctly.
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codecov bot commented Feb 9, 2019

Codecov Report

Merging #178 into release/1.2 will increase coverage by 0.12%.
The diff coverage is 100%.

Impacted file tree graph

@@               Coverage Diff               @@
##           release/1.2     #178      +/-   ##
===============================================
+ Coverage        72.52%   72.65%   +0.12%     
===============================================
  Files               92       92              
  Lines             5668     5693      +25     
===============================================
+ Hits              4111     4136      +25     
  Misses            1557     1557
Impacted Files Coverage Δ
include/Citation.hpp 100% <ø> (ø) ⬆️
src/interface/Meddle.hpp 100% <ø> (ø) ⬆️
src/cavity/GePolCavity.hpp 50% <ø> (ø) ⬆️
src/bin/run_pcm.cpp 95.34% <100%> (+0.11%) ⬆️
src/cavity/GePolCavity.cpp 91.17% <100%> (+0.38%) ⬆️
src/interface/Meddle.cpp 68.78% <100%> (ø) ⬆️
src/utils/MathUtils.hpp 98.26% <100%> (+0.24%) ⬆️
api/pcmsolver.f90 100% <100%> (ø) ⬆️

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@robertodr
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@ilfreddy I am merging so I can finish up a new release. You've looked at this changes in the previous PR anyway

@robertodr robertodr merged commit 4803e50 into PCMSolver:release/1.2 Feb 14, 2019
@robertodr robertodr deleted the prune-cavity branch February 14, 2019 13:58
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2 participants