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V0.8.0 #62

Merged
merged 105 commits into from
Oct 16, 2023
Merged

V0.8.0 #62

merged 105 commits into from
Oct 16, 2023

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schmoelder
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@schmoelder schmoelder commented Oct 11, 2023 •
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schmoelder and others added 30 commits May 26, 2023 15:01
@schmoelder
Check if UnitOperation supports binding model
501062d
@schmoelder
Allow component slicing in plot_purity method
e323338
@schmoelder
Convert data to np.arrays with correct dimensions
051bf63
@schmoelder
Fix indexing for components when using total component concentration
86f88cd
@schmoelder
Fix NormLogTransform
c3f43d6
@schmoelder
Allow specifying Cadet install path for initial conditions.
2ea0158
@schmoelder
Add cadet.cadet_path check to each CadetAPI call
fa7f8a2
@schmoelder
Improve autodection and setting of Cadet.install_path
f9ee674
@schmoelder
Fix particle reaction models
0ad5a6b
@schmoelder
Use np.rng for creating random numbers
0f01bc5
@schmoelder
Improve restoring from checkpoint for pymoo
922361e
@schmoelder
Replace inf by large number to avoid pymoo error
623de03
@schmoelder
Use logger.warning
7d4d0b9
@flo-schu @schmoelder
exclude *.egg-info files from installing the repository as pip -e
1b0d36c
@schmoelder
Add transformed bounds to OptimizationVariable
c2c9e67 
dummy
@schmoelder
Add more options to setup_optimization_problem
7174d3a
@schmoelder
Formatting
8e269b9
@schmoelder
Allow setting metric labels when adding callable
215b3f3 
Allow setting labels in setup_optimization_problem
@schmoelder
Always return list for labels (empty if n_metric==0)
aab9111
@schmoelder
Improve setting descriptor arguments in __init__
b8454d7
@schmoelder
Rename isIndependent -> is_independent
aae8708
@schmoelder
Check if is_method to auto name callables in OptimizationProblem
0cd0853
@schmoelder
Omit corner plot for single individuals
28e5e34
@schmoelder
Fix plot_objectives when len(population_feasible)==0
a24a494
@schmoelder
Make sure ndim==1 for initial values of scipy optimizers
6172b88
@schmoelder
Overwrite x0 when restoring from checkpoint
78b6b67
@schmoelder
Remove parameters property from OptimizationVariable
ca05683
@schmoelder
Provide more unified interface for optimizer options
546fbda
@schmoelder
Correct number of evaluations for COBYLA
98f1659
@schmoelder
Add note about variable setter
8b312db
r.jaepel and others added 8 commits October 14, 2023 17:57
@schmoelder
Add first fixes to rate_transformed setters
e54fb5b
@schmoelder
Change reference_concentration interface
44be67f 
to be consistent with CADET Core interface. Now setting adsorption_rate in the SMA model set's the transformed adsorption rate k~a.
@schmoelder
Fix binding adapter
109065e 
Added missing isotherms to cadetAdapter.py
added test to verify existence of isotherms in cadetAdapter.py
@schmoelder
Improve performance by locking the process before checking
703a320
@schmoelder
Update optimization documentation
f8ed172
@schmoelder
Improve README for building documentation
44ffa10
@schmoelder
Update dependencies
cd6a3ed
@schmoelder
Test for Python 3.11
0056fa4
@schmoelder schmoelder merged commit cad1ad0 into master Oct 16, 2023
6 checks passed
@schmoelder schmoelder deleted the v0.8.0 branch October 16, 2023 07:36
@schmoelder schmoelder restored the v0.8.0 branch October 16, 2023 07:41
@schmoelder schmoelder deleted the v0.8.0 branch February 7, 2024 15:54
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2 participants
@schmoelder @flo-schu