idaes-pse
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Add new Complementarity formualtion for VLE with cubic EoSs
Replaces #977
Summary/Motivation:
This PR adds an implementation of the improved Smooth VLE formulation originally proposed in #977. This implementation preserves the old implementation for backward compatibility.
Changes proposed in this PR:
- Infrastructure work to support new formulation, and address some pylint issues in modular properties code.
- Add new class
SmoothVLE2to implement improved formulation
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Codecov Report
Attention: Patch coverage is 53.23194% with 123 lines in your changes are missing coverage. Please review.
Project coverage is 77.52%. Comparing base (
3a1d54a) to head (7997adf).
Additional details and impacted files
@@ Coverage Diff @@
## main #1397 +/- ##
==========================================
- Coverage 77.63% 77.52% -0.12%
==========================================
Files 391 392 +1
Lines 64391 64510 +119
Branches 14264 14268 +4
==========================================
+ Hits 49989 50010 +21
- Misses 11830 11935 +105
+ Partials 2572 2565 -7
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@viiibhav @jghouse88 Not sure if either of you still receive these, but input and review on this PR would be welcome.
@viiibhav @jghouse88 Not sure if either of you still receive these, but input and review on this PR would be welcome.
Will take a look this week if that works. The best test would be to see if the paper examples work with this pr and see if we get similar results.
@jghouse88 I have tested this with the existing tests in IDAES, swapping the new formulation for the old one. All but two tests pass with the new formulation, but the two that fail appear to need further investigation - the temperature sweep test is failing to converge to the correct solution (it gets stuck somewhere).
Codecov Report
Attention: Patch coverage is 83.45324% with 46 lines in your changes missing coverage. Please review.
Project coverage is 77.83%. Comparing base (
fff4546) to head (c2a593d). Report is 26 commits behind head on main.
Additional details and impacted files
@@ Coverage Diff @@
## main #1397 +/- ##
==========================================
+ Coverage 77.80% 77.83% +0.02%
==========================================
Files 393 394 +1
Lines 64797 64926 +129
Branches 14390 14398 +8
==========================================
+ Hits 50413 50532 +119
- Misses 11794 11811 +17
+ Partials 2590 2583 -7
:umbrella: View full report in Codecov by Sentry.
:loudspeaker: Have feedback on the report? Share it here.