8000 v.3.0.0 by fedebenelli · Pull Request #137 · ipqa-research/yaeos · GitHub
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Merged
merged 58 commits into from
Jan 27, 2025
Merged

v.3.0.0 #137

merged 58 commits into from
Jan 27, 2025

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fedebenelli
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@fedebenelli fedebenelli commented Jan 17, 2025 •
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  • API breaking changes on critical line calculation
  • Tx envelope Python-API
  • Fitting procedures on Python-API
  • three-phase PT envelopes

fedebenelli and others added 29 commits January 7, 2025 16:42
@fedebenelli
tx python api
8eb9b58
@fedebenelli
better stop at cp on binary pxy
25e2aa6
@fedebenelli
procedure to fit the k factor to the RKPR alpha function
25919fc
@fedebenelli
Tsat: Doing five single variable iterations seems to help
7f15c5d
@fedebenelli
Parametrizing the near critical detection
bcace3e
@fedebenelli
provide compositions on pt
5c06b74
@fedebenelli
step selection
f220019
@fedebenelli
fmt
2eaa5d9
@fedebenelli
improved sat solvers
645d696
@fedebenelli
c
071dbb7
@fedebenelli
now GH CI needs to manually install lapack?
cb3c0e5
@fedebenelli
python
e9ada7a
@fedebenelli
fitting procedures python-api
e9b0c9a
@fedebenelli
first draft of fitting procedures
c710dbb
@fedebenelli
blacked
5aa9a88
@fedebenelli
disabling cep for now
bab2ef5
@fedebenelli
not a real test yet
a375b5e
@fedebenelli
take into account possible cases where only one
6a7ccca
@fedebenelli
fixed fobj
f55b4e4
@fedebenelli
slight change in critical line API
3f398b0
@fedebenelli
better solving of k for RKPR
c8eb62e
@fedebenelli
Initialization for volume solver of heavy compounds
a2c7370
@fedebenelli
we are not on version 3 due to API breaking changes
6fbb275
@fedebenelli
v3
c567aa7
@fedebenelli
circular fix
59d7523
@fedebenelli
make sure small steps in composition are made when ns<=nc
f501aa4
@fedebenelli
oops
6c32057
@fedebenelli
tpd might give a relative negative minima but it is just numeric error
d0f45aa
@fedebenelli
updated api
aa4ddc4
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codecov bot commented Jan 17, 2025 •
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Codecov Report

Attention: Patch coverage is 95.14170% with 12 lines in your changes missing coverage. Please review.

Project coverage is 95.07%. Comparing base (22a43db) to head (99d0584).
Report is 3 commits behind head on main.

Files with missing lines Patch % Lines
...elmholtz/cubic/implementations/implementations.f90 71.42% 5 Missing and 1 partial ⚠️
src/equilibria/critical.f90 94.82% 3 Missing ⚠️
...c/equilibria/boundaries/phase_envelopes_pt_3ph.f90 98.63% 2 Missing ⚠️
src/equilibria/boundaries/phase_envelopes_px.f90 66.66% 0 Missing and 1 partial ⚠️
Additional details and impacted files 
@@            Coverage Diff             @@
##             main     #137      +/-   ##
==========================================
- Coverage   95.51%   95.07%   -0.45%     
==========================================
  Files          47       48       +1     
  Lines        4146     4362     +216     
  Branches      298      301       +3     
==========================================
+ Hits         3960     4147     +187     
- Misses        117      146      +29     
  Partials       69       69

☔ View full report in Codecov by Sentry.
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Se viene la tercera?

@fedebenelli fedebenelli merged commit b050fdd into main Jan 27, 2025
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@SalvadorBrandolin SalvadorBrandolin Awaiting requested review from SalvadorBrandolin

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