PySDM v1.6

• new example based on Lowe et al. 2019 Nature Comm. paper on surface-active organics - kudos @claresinger and @rxward!
• kappa (times dry volume) as particle attribute, also optionally dry organic volume
• backend routines, new products, initialisation methods (spectro_glacial_sampling) and basic tests for upcoming immersion freezing dynamic
• VTK exporter metadata aligned to properly overlay netCDF output in Paraview
• 2D kinematic environment GUI improvements and major code cleanup
• UniformRandom spectral sampling
• cleanups, fixes, new tests (r_wet_init, condensation diagnotics, moments, ...)

PySDM v1.5

Maintenance release with git package URLs removed from setup.py (possible as we are now on pypi.org).
Also: performance-oriented refactors around moments and moment products (kudos @piotrbartman!)

PySDM v1.4

TOP 5:

• condensation on GPU (and required updates to FakeThrust, e.g. extract_struct_defs()); parcel and 1d-kinematic examples work now OK on both CPU and GPU; kudos to @piotrbartman

• numerous cleanups and fixes in aqueous chemistry code, incl. rewrite of pH handling (HydrogenIonConcentration attribute), options to calculate both volume-weighted and number-weighted pH, calculation of dry radius based on actual amounts of chemical compounds; several figures from Kreidenweis et al. 2003 and Jaruga and Pawlowska 2018 reproduced successfully; kudos to @trontrytel

• VTK exporter for attributes (files readily usable with Paraview for visualisation of particle attributes); kudos to @abulenok

• brand new PySDM.physics infrastructure enabling common physics code for CPU and GPU backends (c_inline) and enabling user-facing control over the choice of physical formulae (e.g., condensation solver coordinate, saturation vapour pressure approximation, temperature dependence in diffusion coefficients, etc), JIT options and random seed through the Formulae.__init__() arguments; backend are now instantiated by the Builder;

• Julia and Matlab (in addition to Python) example code in the README file (box coalescence & parcel condensation).

Other news:

• deployment of pdoc-generated API manual to GitHub pages (https://atmos-cloud-sim-uj.github.io/PySDM/);
• multi-threaded operation for moment calculation on CPU (using atomic_* functions from github.com/KatanaGraph/katana)
• surface precipitation calculations on GPU
• numerous fixes in GPU backend routines, including gently handling zero-length For launches
• replaced bisection with TOMS-748 in the Numba backend (for r_wet_init, condensation implicit Euler and pH calculation)
• thread-safe handling of "success" checks within condensation solver
• simplification of the BDF code (test helper for validation condensation solver)
• running Julia and Matlab examples on GitHub Actions
• products: removed range and scale fields (now only defined in the ICMW example)
• many more tests work on GPU now (displacement, condensation, ...)
• widget freezer in Shima_et_al_2009 example
• cleanups in docstrings

PySDM v1.3

TOP 5:

• aqueous chemistry dynamic draft with two new examples, kudos @Golui & @trontrytel!
  (new examples, WIP: Kreidenweis_et_al_2003 & Jaruga_and_Pawlowska_2018)
• moving examples to a separate repo, making them an installable package
  (https://github.com/atmos-cloud-sim-uj/PySDM-examples)
• dropping dep on molmass in favour of chempy (used by the new dynamic)
• notebook execution moved from Travis to Github Actions (using pytest instead of bash script)
• activation, deactivation and ripening counters (and relevant products)

Other news:

• notebook header cleanup (just pip install PySDM_examples for Colab)
• swithing to newer Jupyter Lab interface in mybinder.org badge links
• cleanup around coalsecence timestep adaptivity
• new products: TotalConcentration, ParcelDisplacement, Time, CloudDropletEffectiveRadius, PeakSupersaturation, ActivatingRate, DeactivatingRate, RipeningRate, TotalDryMassMixingRatio, DynamicWallTime, AqueousMassSpectrum, Concentration, pH
• improved in-cloud hydrostatic profile integration + tests
• removed intensive attribute logic from coalescence; added proper handling within IntensiveAttribute class
• using @strict decorator for Settings classes (pystrict package)
• added cron-schedulled builds to GA
• added "pip -e" installation into continuous integration workflows
• dropped Python 3.6 builds, introduced 3.9
• fixed attr iteration in Thrust coalescence (chemistry first to use it)
• dynamic/static schedule parameters for condensation
• moved Matlab examples to a separate repo (PySDM_examples.m)
• moved Julia examples to a separate repo (PySDM_examples.jl)
• proper seed passing for initialisation in ThrustRTC.Random
• checking README code with pytest using exdown

PySDM v1.2

TOP 5:

• new adaptivity controls for SDM coalescence (kudos @piotrbartman!)
• new smart scheduling for parallel execution in multi-cell adaptive coalescence (for both GPU and CPU)
• new environment: kinematic_1D
• new example based on Shipway & Hill 2012 using PyMPDATA 1D advection
• major refactors around storage logic and coalescence-related backend methods

Other news:

• numerous fixes to support 1D simulations
• several physics formulae residing in environment code moved to physics
• new products: CoalescenceTimestepMean, CoalescenceTimestepMin, WaterMixingRatio
• support for atomicMin() in FakeThrustRTC
• test_todos_annotated.py - checking if all TODOs in the code have a valid GitHub issue number
• major cleanups (incl. removal of numerous obsolete backend tests)
• new tests: adaptive coalescence, new example

PySDM v1.1

TOP5:

• major refactor of backend storage classes (including introduction of Index, PairIndicator and PairwiseStorage)
• support for calculating moments on GPU with parallel sums using atomicAdd (thanks @tehAgitto)
• fakeThrust machinery for testing GPU code on CPU (incl. C to Python translation) and the backends fixture for pytests (kudos @piotrbartman!)
• PySDM_tutorials folder with minimal usage examples for the "box" and the "parcel" environments depicting how to use PySDM from Python, Matlab and Julia + minimal example for the "kinematic_2d" environment in Python
• initialisation logic refactored and moved to init_attributes() methods in environments

Other news:

• added continuous integration scripts for Github Actions (Windows, macOS, Linux) and Appveyor (32-bit and 64-bit Windows jobs)
• support for switching floating point format on GPU backend, fixed int overflow issues in Thrust C code
• introducing alias backend names: CPU=Numba and GPU=ThrustRTC
• CUDA detection code with hints for Colab users
• Bartman et al. 2021 example with animation generated from netCDF file
• fixed tolerance handling in bisection + adjusted default tolerances for condensation
• switched from mendeleev to molmass package as dependency for physical constants
• setup.py file for installation with pip
• removed dependency on mpmath (mpmath.besseli -> scipy.special.ive)
• relocation of all product classes into PySDM/products
• renamed ICMW_2012_case_1 to Arabas_et_al_2015_Figs_8_9
• added widgets and temporary_file in PySDM_examples/utils including helper logic for downloading files from Colab
• fixed ipywidgets no-icons problem on Colab ("display(HTML(...))" with in widgets/init.py)
• renamed all Setup classes to Settings (not to have multiple setup.py files which puzzled Dependabot)
• work in progress towards cell-wise adaptivity for coalescence (still guarded with not-implemented exception)
• new products: CollisionRate, CollisionRateDeficit, SurfacePrecipitation
• use "-We" flag for python in CI scripts to trigger error on warnings (what triggered numerous cleanups)
• switch from TRAVIS to CI env var whenever checking for continuous integration environment
• README and notebook header enhancements (incl. Colab and mybinder badges in notebook headers)
• more metadata in netCDF output
• moved timing logic from stats.py into products
• renamed State to Particles
• simplified inheritance in environments
• AmbientThermodynamics dynamic
• more parrallel=True/prange loops in numba backend
• automatic initial spectrum range by specifying sampling region with percentiles
• adapted EulerianAdvection to new PyMPDATA API (MPyDATA->PyMPDATA, advectee, advector)
• enforcing stateless backends by preventing instantiation with an exception in init

PySDM v1.0

Initial release accompanying Piotr Bartman's MSc thesis and featuring:

• coalescence with adaptive time step (CPU, GPU)
• condensation with adaptive time step (CPU)