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Test the Windows CI on dev#200

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hannahlanzrath wants to merge 106 commits intodevfau-advanced-separations/CADET-Process:devfrom test_windows_CIfau-advanced-separations/CADET-Process:test_windows_CICopy head branch name to clipboard

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Commits

Commits on Jun 18, 2024

• Add qNParEGO Ax MOO Interface

  

  ronald-jaepel

  authored and

  schmoelder

  committed
  508983a

• Relax tolerance for MOO convergence test

  

  ronald-jaepel

  authored and

  schmoelder

  committed
  fdb7dcf

• Unify calling evaluation functions for individuals and populations

  Show description for 69a5478
  schmoelder

  committed
  69a5478

• Ensure callback dirs are created for final callback

  

  ronald-jaepel

  authored and

  schmoelder

  committed
  1a4debb

• Update docstrings

  schmoelder

  committed
  9720966

• Add method to create fraction

  schmoelder

  committed
  83fff8f

• Add start and end times to Fraction

  schmoelder

  committed
  8cc02e1

• Specify and validate reference type for difference metrics

  schmoelder

  committed
  159b374

• Add classes to __all__

  schmoelder

  committed
  11c59f4

• Add only_transforms_solution flag

  schmoelder

  committed
  4d7fc10

• Only resample if flag is set

  schmoelder

  committed
  a8ed736

• Formatting

  schmoelder

  committed
  d20d9cd

• Fix typo

  schmoelder

  committed
  52e33bf

• Add FractionationReference

  schmoelder

  committed
  a59372a

• Add FractionationSSE

  schmoelder

  committed
  8f0faf6

Commits on Jun 19, 2024

• Fix add_concentration_profile (#140)

  Show description for 6bbb6c8
  

  schmoelder

  and

  ronald-jaepel

  authored
  6bbb6c8

• Always inherit cadet path

  Show description for 12d862b
  ronald-jaepel

  committed
  12d862b

• Add method to calculate volumetric flow rate from velocity.

  schmoelder

  committed
  19e5457

• Rename .t0 to .calculate_interstitial_rt in Cstr

  Show description for 3356cde
  

  ronald-jaepel

  authored and

  schmoelder

  committed
  3356cde

Commits on Jun 20, 2024

• Do not modify LD_LIBRARY_PATH when setting install_path

  Show description for 6fd5a44
  schmoelder

  committed
  6fd5a44

• Adapt to new DG interface in CADET-Core

  schmoelder

  committed
  618fb1f

• Fix using minute for x-Axis

  Show description for 8ce41f3
  schmoelder

  committed
  8ce41f3

• Freeze discretization attributes

  schmoelder

  committed
  1c9251f

• Update docstrings

  schmoelder

  committed
  4f1671b

• Fix incorrect declaration in AntiLangmuir as optional

  

  AntoniaBerger

  authored and

  schmoelder

  committed
  7ddabeb

• Change AntiLangmuir coefficient from SizedUnsignedList to SizedList

  

  AntoniaBerger

  authored and

  schmoelder

  committed
  cdc11b9

Commits on Jul 11, 2024

• Raise exception when adding connections to Inlets or from Outlets

  Show description for 6150667
  

  schmoelder

  and

  daklauss

  committed
  6150667

• Fix header level in documentation for unit operation

  schmoelder

  committed
  e706472

• Fix bug when adding linear constraints

  schmoelder

  committed
  2e6a7e3

• Fix plot_at_position

  Show description for 39402fe
  

  hannahlanzrath

  authored and

  schmoelder

  committed
  39402fe

• Fix divide by zero error in pearsonr_mat

  Show description for 0f900b3
  

  ronald-jaepel

  authored and

  schmoelder

  committed
  0f900b3

Commits on Jul 15, 2024

• Avoid duplicate entries in user_solution_times

  schmoelder

  committed
  ead85ce

• Improve tearDown after tests

  Show description for 736a4b4
  schmoelder

  committed
  736a4b4

• Add FanoutCache

  schmoelder

  committed
  b9e637e

Commits on Aug 1, 2024

• Add colloidal binding model

  

  Angela Moser

  authored and

  schmoelder

  committed
  b114674

Commits on Aug 5, 2024

• Add support for numpy v2.0.0

  schmoelder

  committed
  3a177b7

• Fix typo in set_diameter methods

  schmoelder

  committed
  e85ca8d

Commits on Aug 6, 2024

• Fix bug when adding linear equality constraints

  schmoelder

  committed
  022ecf3

• Explicitly specify support for bounds

  schmoelder

  committed
  b715f57

• Return np.array for linear constraints

  schmoelder

  committed
  e0ebd09

• Fix comparison logic for linear equality constraints

  Show description for 8032e81
  schmoelder

  committed
  8032e81

• Use common optimizer interface for tolerances

  schmoelder

  committed
  498f64f

• Make optimial solution a property

  schmoelder

  committed
  407eba8

• Formatting

  schmoelder

  committed
  a68557e

• Add option to (not) close cache on pruning

  schmoelder

  committed
  5d97c65

• Do not plot figures if progress_frequency is None

  Show description for 9174bd7
  schmoelder

  committed
  9174bd7

• Use in-memory cache for testing optimizer behaviour

  schmoelder

  committed
  1673101

• Update population size in non-default parameters

  schmoelder

  committed
  e59d9ae

• Add NelderMead and COBYLA to optimizer tests

  schmoelder

  committed
  76e03e8

• Add type hints and update docstrings

  schmoelder

  committed
  0a5fba1

• Add method to evaluate bounds violation

  schmoelder

  committed
  4b20473

• Cast np.bool_ to bool

  schmoelder

  committed
  061def5

• Allow evaluation of population for getting (in)dependent values

  schmoelder

  committed
  32f6a29

• Add option to evaluate nonlinear constraints when checking individual

  schmoelder

  committed
  572e96e

• Rename eps_eq -> eps_lineq

  schmoelder

  committed
  e4cc118

• Make callback error logger warning more verbose.

  

  ronald-jaepel

  authored and

  schmoelder

  committed
  b3fbe27

Commits on Aug 12, 2024

• Update gets_dependent_variables decorators

  schmoelder

  committed
  1d1037b

• Rename decorator wrapper functions to improve stacktrace readability.

  

  ronald-jaepel

  authored and

  schmoelder

  committed
  3a8d88e

• Add tolerance argument for constraint violation check methods

  schmoelder

  committed
  815f4a4

• Handle maximum number of initial evaluations in Ax

  schmoelder

  committed
  3b87fe8

• Distinguish between different constraint violations

  schmoelder

  committed
  0115300

Commits on Aug 14, 2024

• Add MCTDiscretization

  Show description for 612099d
  

  3 peoplecommitted
  612099d

• Add MCTRecorder

  Show description for c17b91c
  

  3 peoplecommitted
  c17b91c

• Add ports to unitOperation

  Show description for 65591fa
  

  3 peoplecommitted
  65591fa

• Add ports to flowSheet

  Show description for c5c06c7
  

  3 peoplecommitted
  c5c06c7

• Add ports to process

  Show description for 5ae2b84
  

  3 peoplecommitted
  5ae2b84

• Add ports to carouselBuilder

  Show description for 29404d1
  

  3 peoplecommitted
  29404d1

• Add ports to compartmentBuilder

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  3 peoplecommitted
  f7774f1

• Add ports to simulationResults

  Show description for 9f1e689
  

  3 peoplecommitted
  9f1e689

• Add ports to cadetAdapter

  Show description for 546830c
  

  3 peoplecommitted
  546830c

• Add singelton dimension handling to solution

  Show description for c0babf2
  

  3 peoplecommitted
  c0babf2

• Add method to get information about CADET version

  Show description for 4e8dad5
  

  hannahlanzrath

  and

  schmoelder

  committed
  4e8dad5

• Formatting

  schmoelder

  committed
  e1e624f

• Update tests to pytest

  Show description for 5fed4a8
  

  hannahlanzrath

  authored and

  schmoelder

  committed
  5fed4a8

• Add create_LWE

  Show description for 29b5066
  

  hannahlanzrath

  and

  schmoelder

  committed
  29b5066

• Add LWE tests to test_cadet_adapter

  Show description for 0794a23
  

  hannahlanzrath

  and

  schmoelder

  committed
  0794a23

Commits on Oct 2, 2024

• Fix default value for start time when creating fractions

  schmoelder

  committed
  36adbeb

• Fix loading of multi-cycle solutions

  

  ronald-jaepel

  authored and

  schmoelder

  committed
  1458a0b

Commits on Nov 14, 2024

• Pin ax version

  Show description for 336ae35
  schmoelder

  committed
  336ae35

• Temporarily disable Windows tests to avoid crashes

  Show description for e1be7cb
  schmoelder

  committed
  e1be7cb

• Pin CADET-Python version

  Show description for 66d6b9d
  schmoelder

  committed
  66d6b9d

• Fix AxInterface options

  Show description for 35ba311
  schmoelder

  committed
  35ba311

Commits on Nov 15, 2024

• Adapt cadetAdapter.py to match new install_path settings in CADET-Python.

  Show description for 20ead9c
  

  ronald-jaepel

  authored and

  schmoelder

  committed
  20ead9c

• Raise required CADET-Python version to v1.0

  

  ronald-jaepel

  authored and

  schmoelder

  committed
  bdc937d

• Adapt to new CSTR interface.

  

  ronald-jaepel

  authored and

  schmoelder

  committed
  4d9d3d5

Commits on Nov 16, 2024

• Deprecate Mambaforge

  Show description for 8b4dc27
  schmoelder

  committed
  8b4dc27

• Improve cleanup after tests

  schmoelder

  committed
  c2383f8

Commits on Dec 2, 2024

• Remove setup.cfg

  Show description for 9d5dd2a
  schmoelder

  committed
  9d5dd2a

• For mobile phase modulator binding add linear threshold parameter.

  

  ronald-jaepel

  authored and

  schmoelder

  committed
  868dfe7

• Add test for mobile phase modulator binding model.

  

  ronald-jaepel

  authored and

  schmoelder

  committed
  71d2b54

• Use SingleTaskGP instead of FixedNoiseGP as recommended in the Deprecation Warning

  Show description for 231d27d
  

  2 peopleauthored and

  schmoelder

  committed
  231d27d

• Add CITATION.bib

  Show description for 825c718
  

  jbreue16

  authored and

  schmoelder

  committed
  825c718

Commits on Dec 4, 2024

• Add zenodo metadata file

  

  hannahlanzrath

  authored and

  schmoelder

  committed
  6e0ab42

• Add release guide (#186)

  schmoelder

  committed
  ad7a571

• Fix molecular weights attribute of component system and add test

  

  daklauss

  authored and

  schmoelder

  committed
  9afa82c

• Remove tests for detection of CADET

  Show description for b7ff113
  schmoelder

  committed
  b7ff113

• Update tests for CADET-Core v5.0.2

  schmoelder

  committed
  1e7789f

• Remove checks for singleton dimensions

  schmoelder

  committed
  21af220

• Update volume dimensionality

  Show description for e2877a3
  schmoelder

  committed
  e2877a3

• Call pytest if __file__ == "__main__

  schmoelder

  committed
  dc3762f

• Update detect_cadet() expected variables

  

  hannahlanzrath

  authored and

  schmoelder

  committed
  7ae3f96

• Remove faulty kwargs pass

  

  hannahlanzrath

  authored and

  schmoelder

  committed
  10a21c9

• Add parameterization to test_cadet_adapter

  Show description for 45babef
  

  hannahlanzrath

  authored and

  schmoelder

  committed
  45babef

• Update MacOS in CI

  schmoelder

  committed
  d97cf31

Commits on Dec 9, 2024

• Add Mamba run

  hannahlanzrath

  committed
  aa93ffc

• Test for Windows now

  hannahlanzrath

  committed
  4efe2b0