PySDM 2.35__tar.gz → 2.40__tar.gz

{PySDM-2.35 → PySDM-2.40}/.binder/postBuild

@@ -4,4 +4,4 @@
 
 set -e
 shopt -s extglob
-rm -rfv !("examples")
+rm -rfv !("examples"|"tutorials")

{PySDM-2.35 → PySDM-2.40}/.github/workflows/tests+artifacts+pypi.yml

@@ -102,7 +102,7 @@ jobs:
         pip install -e .[tests]
     - run: |
         # TODO #682
-        pylint --unsafe-load-any-extension=y --disable=fixme,invalid-name,missing-function-docstring,missing-class-docstring,protected-access,duplicate-code $(git ls-files '*.py' | grep -v ^examples)
+        pylint --unsafe-load-any-extension=y --disable=fixme,invalid-name,missing-function-docstring,missing-class-docstring,protected-access,duplicate-code $(git ls-files '*.py' | grep -v -e ^examples -e ^tutorials)
     - run: |
         # TODO #682
         pylint --max-module-lines=550 --unsafe-load-any-extension=y --disable=fixme,too-many-function-args,unsubscriptable-object,consider-using-with,protected-access,too-many-statements,too-many-public-methods,too-many-branches,duplicate-code,invalid-name,missing-function-docstring,missing-module-docstring,missing-class-docstring,too-many-locals,too-many-instance-attributes,too-few-public-methods,too-many-arguments,c-extension-no-member $(git ls-files '*.py' | grep ^examples)
@@ -125,13 +125,13 @@ jobs:
       matrix:
         platform: [ubuntu-latest, macos-12, windows-latest]
         python-version: ["3.8", "3.10"]
-        test-suite: ["unit_tests", "smoke_tests/no_env", "smoke_tests/box", "smoke_tests/parcel", "smoke_tests/kinematic_1d", "smoke_tests/kinematic_2d"]
+        test-suite: ["unit_tests", "smoke_tests/no_env", "smoke_tests/box", "smoke_tests/parcel", "smoke_tests/kinematic_1d", "smoke_tests/kinematic_2d", "tutorials_tests"]
         exclude:
           - test-suite: "devops_tests"
             python-version: "3.8"
       fail-fast: false
     runs-on: ${{ matrix.platform }}
-    timeout-minutes: 60
+    timeout-minutes: 75
     steps:
       - uses: actions/checkout@v2
         with:
@@ -160,6 +160,10 @@ jobs:
       - if: startsWith(matrix.platform, 'ubuntu-')
         run: echo NUMBA_THREADING_LAYER=omp >> $GITHUB_ENV
 
+      # install devops_tests for tutorials_tests
+      - if: matrix.test-suite == 'tutorials_tests'
+        run: pip install -r tests/devops_tests/requirements.txt 
+
       - env:
           GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
         run: pytest --durations=10 --timeout=900 --timeout_method=thread -p no:unraisableexception -We tests/${{ matrix.test-suite }}

{PySDM-2.35 → PySDM-2.40}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: PySDM
-Version: 2.35
+Version: 2.40
 Summary: Pythonic particle-based (super-droplet) warm-rain/aqueous-chemistry cloud microphysics package with box, parcel & 1D/2D prescribed-flow examples in Python, Julia and Matlab
 Home-page: https://github.com/open-atmos/PySDM
 Author: https://github.com/open-atmos/PySDM/graphs/contributors
@@ -48,10 +48,17 @@ Description: # PySDM
         
         There is a growing set of example Jupyter notebooks exemplifying how to perform 
           various types of calculations and simulations using PySDM.
-        Most of the example notebooks reproduce resutls and plot from literature, see below for 
+        Most of the example notebooks reproduce results and plot from literature, see below for 
           a list of examples and links to the notebooks (which can be either executed or viewed 
           "in the cloud").
         
+        There are also a growing set of [tutorials](https://github.com/open-atmos/PySDM/tree/main/tutorials), also in the form of Jupyter notebooks.
+        These tutorials are intended for teaching purposes and include short explanations of cloud microphysical 
+          concepts paired with widgets for running interactive simulations using PySDM.
+        Each tutorial also comes with a set of questions at the end that can be used as homework problems.
+        Like the examples, these tutorials can be executed or viewed "in the cloud" making it an especially 
+          easy way for students to get started.
+        
         PySDM has two alternative parallel number-crunching backends 
           available: multi-threaded CPU backend based on [Numba](http://numba.pydata.org/) 
           and GPU-resident backend built on top of [ThrustRTC](https://pypi.org/project/ThrustRTC/).
@@ -789,20 +796,23 @@ Description: # PySDM
         The development and maintenance of PySDM is led by [Sylwester Arabas](https://github.com/slayoo/).
         [Piotr Bartman](https://github.com/piotrbartman/) had been the architect and main developer 
         of technological solutions in PySDM. 
-        The suite of examples shipped with PySDM includes contributions from researchers 
+        PySDM includes contributions from researchers 
         from [Jagiellonian University](https://en.uj.edu.pl/en) departments of computer science, physics and chemistry;
-        and from 
-        [Caltech's Climate Modelling Alliance](https://clima.caltech.edu/).
+        from [Caltech's Climate Modelling Alliance](https://clima.caltech.edu/),
+        from [University of Warsaw](https://en.uw.edu.pl/) (dept. physics), and
+        from [AGH University of Krakow](https://agh.edu.pl/en) (dept. physics \& applied computer science) where release maintenance takes place currently.
         
         Development of PySDM had been initially supported by the EU through a grant of the 
-        [Foundation for Polish Science](https://www.fnp.org.pl/)) (POIR.04.04.00-00-5E1C/18) 
+        [Foundation for Polish Science](https://www.fnp.org.pl/)) (grant no. POIR.04.04.00-00-5E1C/18) 
         realised at the [Jagiellonian University](https://en.uj.edu.pl/en).
-        The immersion freezing support in PySDM is developed with support from the
+        The immersion freezing support in PySDM was developed with support from the
         US Department of Energy [Atmospheric System Research](https://asr.science.energy.gov/) programme
-        through a grant realised at the 
+        through a grant (no. DE-SC0021034) realised at the 
         [University of Illinois at Urbana-Champaign](https://illinois.edu/).
+        Development of isotopic fractionation representation and mixed-phase support is carried out with support from
+        the [Polish National Science Centre](https://ncn.gov.pl/en) (grant no. 2020/39/D/ST10/01220).
         
-        copyright: [Jagiellonian University](https://en.uj.edu.pl/en)    
+        copyright: [Jagiellonian University](https://en.uj.edu.pl/en) (2019-2023) & [AGH University of Krakow](https://agh.edu.pl/en) (2023-...)    
         licence: [GPL v3](https://www.gnu.org/licenses/gpl-3.0.html)
         
         ## Related resources and open-source projects

{PySDM-2.35 → PySDM-2.40}/PySDM/initialisation/aerosol_composition/dry_aerosol.py

@@ -16,14 +16,13 @@ from typing import Dict, Tuple
 
 from PySDM import formulae
 from PySDM.physics import surface_tension
-from PySDM.physics.constants_defaults import Mv, rho_w
 
 
 class DryAerosolMixture:
     def __init__(
         self,
         *,
-        compounds: Tuple[str],
+        compounds: Tuple[str, ...],
         densities: Dict[str, float],
         molar_masses: Dict[str, float],
         is_soluble: Dict[str, bool],
@@ -44,21 +43,21 @@ class DryAerosolMixture:
     def modes(self, value: Tuple[Dict]):
         self._modes = value
 
-    # convert mass fractions to volume fractions
     def volume_fractions(self, mass_fractions: dict):
+        """convert mass fractions to volume fractions"""
         return {
             k: (mass_fractions[k] / self.densities[k])
             / sum(mass_fractions[i] / self.densities[i] for i in self.compounds)
             for k in self.compounds
         }
 
-    # calculate total volume fraction of soluble species
     def f_soluble_volume(self, mass_fractions: dict):
+        """calculate total volume fraction of soluble species"""
         volfrac = self.volume_fractions(mass_fractions)
         return sum(self.is_soluble[k] * volfrac[k] for k in self.compounds)
 
-    # calculate volume fractions of just soluble or just insoluble species
     def volfrac_just_soluble(self, volfrac: dict, soluble=True):
+        """calculate volume fractions of just soluble or just insoluble species"""
         if soluble:
             _masked = {k: (self.is_soluble[k]) * volfrac[k] for k in self.compounds}
         else:
@@ -71,8 +70,8 @@ class DryAerosolMixture:
             x = {k: _masked[k] / _denom for k in self.compounds}
         return x
 
-    # calculate hygroscopicities with different assumptions about solubility
-    def kappa(self, mass_fractions: dict):
+    def kappa(self, mass_fractions: dict, water_molar_volume: float):
+        """calculate hygroscopicities with different assumptions about solubility"""
         volfrac = self.volume_fractions(mass_fractions)
         molar_volumes = {
             i: self.molar_masses[i] / self.densities[i] for i in self.compounds
@@ -94,19 +93,19 @@ class DryAerosolMixture:
         result = {}
         for st in formulae._choices(surface_tension).keys():
             if st in (surface_tension.Constant.__name__):
-                result[st] = all_soluble_ns * Mv / rho_w
+                result[st] = all_soluble_ns * water_molar_volume
             elif st in (
                 surface_tension.CompressedFilmOvadnevaite.__name__,
                 surface_tension.CompressedFilmRuehl.__name__,
                 surface_tension.SzyszkowskiLangmuir.__name__,
             ):
-                result[st] = part_soluble_ns * Mv / rho_w
+                result[st] = part_soluble_ns * water_molar_volume
             else:
                 raise AssertionError()
         return result
 
-    # calculate molar volume of just organic species
     def nu_org(self, mass_fractions: dict):
+        """calculate molar volume of just organic species"""
         volfrac = self.volume_fractions(mass_fractions)
         molar_volumes = {
             i: self.molar_masses[i] / self.densities[i] for i in self.compounds

{PySDM-2.35 → PySDM-2.40}/PySDM/physics/constants_defaults.py

@@ -203,56 +203,62 @@ VEDDER_1987_b = 89 / 880
 VEDDER_1987_A = 993 / 880 / 3 / VEDDER_1987_b
 
 """ [eq. 5 in Merlivat and Nief (1967)](https://doi.org/10.3402/tellusa.v19i1.9756) """
-MERLIVAT_NIEF_1967_ALPHA_L_HDO_T2 = 15013 * si.K**2
-MERLIVAT_NIEF_1967_ALPHA_L_HDO_T1 = 0 * si.K
-MERLIVAT_NIEF_1967_ALPHA_L_HDO_T0 = -0.1
+MERLIVAT_NIEF_1967_ALPHA_L_2H_T2 = 15013 * si.K**2
+MERLIVAT_NIEF_1967_ALPHA_L_2H_T1 = 0 * si.K
+MERLIVAT_NIEF_1967_ALPHA_L_2H_T0 = -0.1
 
-MERLIVAT_NIEF_1967_ALPHA_I_HDO_T2 = 16289 * si.K**2
-MERLIVAT_NIEF_1967_ALPHA_I_HDO_T1 = 0 * si.K
-MERLIVAT_NIEF_1967_ALPHA_I_HDO_T0 = -0.0945
+MERLIVAT_NIEF_1967_ALPHA_I_2H_T2 = 16289 * si.K**2
+MERLIVAT_NIEF_1967_ALPHA_I_2H_T1 = 0 * si.K
+MERLIVAT_NIEF_1967_ALPHA_I_2H_T0 = -0.0945
 
 """ [Majoube (1971)](https://doi.org/10.1051/jcp/1971681423) """
-MAJOUBE_1971_ALPHA_L_H218O_T2 = 1137 * si.K**2
-MAJOUBE_1971_ALPHA_L_H218O_T1 = -0.4156 * si.K
-MAJOUBE_1971_ALPHA_L_H218O_T0 = -0.0020667
+# values taken from Jouzel 1986 (eqs. 1)
+MAJOUBE_1971_ALPHA_L_18O_T2 = 1137 * si.K**2
+MAJOUBE_1971_ALPHA_L_18O_T1 = -0.4156 * si.K
+MAJOUBE_1971_ALPHA_L_18O_T0 = -0.0020667
+
+# values taken from Jouzel 1986 (eqs. 2)
+MAJOUBE_1971_ALPHA_L_2H_T2 = 24844 * si.K**2
+MAJOUBE_1971_ALPHA_L_2H_T1 = -76.248 * si.K
+MAJOUBE_1971_ALPHA_L_2H_T0 = 0.052612
 
 """ [Majoube (1970)](https://doi.org/10.1038/2261242a0) """
-MAJOUBE_1970_ALPHA_I_H218O_T2 = 0 * si.K**2
-MAJOUBE_1970_ALPHA_I_H218O_T1 = 11.839 * si.K
-MAJOUBE_1970_ALPHA_I_H218O_T0 = -0.028224
+MAJOUBE_1970_ALPHA_I_18O_T2 = 0 * si.K**2
+MAJOUBE_1970_ALPHA_I_18O_T1 = 11.839 * si.K
+MAJOUBE_1970_ALPHA_I_18O_T0 = -0.028224
 
 """ [Van Hook (1968)](https://doi.org/10.1021/j100850a028) """
-VAN_HOOK_1968_ALPHA_I_HDO_A = 11484.5 * si.K**2
-VAN_HOOK_1968_ALPHA_I_HDO_B = 35.3315 * si.K
-VAN_HOOK_1968_ALPHA_I_HDO_C = -0.159290
+VAN_HOOK_1968_ALPHA_I_2H_A = 11484.5 * si.K**2
+VAN_HOOK_1968_ALPHA_I_2H_B = 35.3315 * si.K
+VAN_HOOK_1968_ALPHA_I_2H_C = -0.159290
 
-VAN_HOOK_1968_ALPHA_L_HDO_A = 26398.8 * si.K**2
-VAN_HOOK_1968_ALPHA_L_HDO_B = -89.6065 * si.K
-VAN_HOOK_1968_ALPHA_L_HDO_C = 0.075802
+VAN_HOOK_1968_ALPHA_L_2H_A = 26398.8 * si.K**2
+VAN_HOOK_1968_ALPHA_L_2H_B = -89.6065 * si.K
+VAN_HOOK_1968_ALPHA_L_2H_C = 0.075802
 
-VAN_HOOK_1968_ALPHA_I_H218O_A = 1740.59 * si.K**2
-VAN_HOOK_1968_ALPHA_I_H218O_B = 2.2965 * si.K
-VAN_HOOK_1968_ALPHA_I_H218O_C = -0.005793
+VAN_HOOK_1968_ALPHA_I_18O_A = 1740.59 * si.K**2
+VAN_HOOK_1968_ALPHA_I_18O_B = 2.2965 * si.K
+VAN_HOOK_1968_ALPHA_I_18O_C = -0.005793
 
-VAN_HOOK_1968_ALPHA_L_H218O_A = 1991.1 * si.K**2
-VAN_HOOK_1968_ALPHA_L_H218O_B = -4.1887 * si.K
-VAN_HOOK_1968_ALPHA_L_H218O_C = 0.001197
+VAN_HOOK_1968_ALPHA_L_18O_A = 1991.1 * si.K**2
+VAN_HOOK_1968_ALPHA_L_18O_B = -4.1887 * si.K
+VAN_HOOK_1968_ALPHA_L_18O_C = 0.001197
 
-VAN_HOOK_1968_ALPHA_I_H217O_A = 933.651 * si.K**2
-VAN_HOOK_1968_ALPHA_I_H217O_B = 1.0953 * si.K
-VAN_HOOK_1968_ALPHA_I_H217O_C = -0.002805
+VAN_HOOK_1968_ALPHA_I_17O_A = 933.651 * si.K**2
+VAN_HOOK_1968_ALPHA_I_17O_B = 1.0953 * si.K
+VAN_HOOK_1968_ALPHA_I_17O_C = -0.002805
 
-VAN_HOOK_1968_ALPHA_L_H217O_A = 1057.8 * si.K**2
-VAN_HOOK_1968_ALPHA_L_H217O_B = -2.24 * si.K
-VAN_HOOK_1968_ALPHA_L_H217O_C = 0.000668
+VAN_HOOK_1968_ALPHA_L_17O_A = 1057.8 * si.K**2
+VAN_HOOK_1968_ALPHA_L_17O_B = -2.24 * si.K
+VAN_HOOK_1968_ALPHA_L_17O_C = 0.000668
 
-VAN_HOOK_1968_ALPHA_I_HOT_A = 18464.5 * si.K**2
-VAN_HOOK_1968_ALPHA_I_HOT_B = 31.0436 * si.K
-VAN_HOOK_1968_ALPHA_I_HOT_C = -0.20752
+VAN_HOOK_1968_ALPHA_I_3H_A = 18464.5 * si.K**2
+VAN_HOOK_1968_ALPHA_I_3H_B = 31.0436 * si.K
+VAN_HOOK_1968_ALPHA_I_3H_C = -0.20752
 
-VAN_HOOK_1968_ALPHA_L_HOT_A = 37813.2 * si.K**2
-VAN_HOOK_1968_ALPHA_L_HOT_B = -136.751 * si.K
-VAN_HOOK_1968_ALPHA_L_HOT_C = 0.124096
+VAN_HOOK_1968_ALPHA_L_3H_A = 37813.2 * si.K**2
+VAN_HOOK_1968_ALPHA_L_3H_B = -136.751 * si.K
+VAN_HOOK_1968_ALPHA_L_3H_C = 0.124096
 
 VAN_HOOK_1968_ALPHA_I_TOT_A = 33453.7 * si.K**2
 VAN_HOOK_1968_ALPHA_I_TOT_B = 62.4058 * si.K

{PySDM-2.35 → PySDM-2.40}/PySDM/physics/isotope_equilibrium_fractionation_factors/__init__.py

@@ -2,6 +2,7 @@
 phase equilibrium, defined as ratios alpha of isotopic ratios R """
 from .barkan_and_luz_2005 import BarkanAndLuz2005
 from .bolot_et_al_2013 import BolotEtAl2013
+from .graf_phd_2017 import GrafPhD2017
 from .horita_and_wesolowski_1994 import HoritaAndWesolowski1994
 from .majoube_1970 import Majoube1970
 from .majoube_1971 import Majoube1971

PySDM-2.40/PySDM/physics/isotope_equilibrium_fractionation_factors/graf_phd_2017.py

@@ -0,0 +1,20 @@
+"""
+Equilibrium fractionation factors used in
+[Graf et al. 2017](https://doi.org/10.3929/ethz-b-000266387)
+"""
+from PySDM.physics.isotope_equilibrium_fractionation_factors.majoube_1970 import (
+    Majoube1970,
+)
+from PySDM.physics.isotope_equilibrium_fractionation_factors.majoube_1971 import (
+    Majoube1971,
+)
+from PySDM.physics.isotope_equilibrium_fractionation_factors.merlivat_and_nief_1967 import (
+    MerlivatAndNief1967,
+)
+
+
+class GrafPhD2017(Majoube1970, Majoube1971, MerlivatAndNief1967):
+    def __init__(self, const):
+        Majoube1970.__init__(self, const)
+        Majoube1971.__init__(self, const)
+        MerlivatAndNief1967.__init__(self, const)

PySDM-2.40/PySDM/physics/isotope_equilibrium_fractionation_factors/majoube_1970.py

@@ -0,0 +1,18 @@
+"""
+Equilibrium fractionation factors from [Majoube 1970](https://doi.org/10.1038/2261242a0)
+(also published by the same author in [Majoube 1971](https://doi.org/10.1051/jcp/1971680625))
+"""
+import numpy as np
+
+
+class Majoube1970:  # pylint: disable=too-few-public-methods
+    def __init__(self, _):
+        pass
+
+    @staticmethod
+    def alpha_i_18O(const, T):
+        return np.exp(
+            const.MAJOUBE_1970_ALPHA_I_18O_T2 / T**2
+            + const.MAJOUBE_1970_ALPHA_I_18O_T1 / T
+            + const.MAJOUBE_1970_ALPHA_I_18O_T0
+        )

PySDM-2.40/PySDM/physics/isotope_equilibrium_fractionation_factors/majoube_1971.py

@@ -0,0 +1,25 @@
+"""
+Equilibrium fractionation factors from [Majoube 1971](https://doi.org/10.1051/jcp/1971681423)
+"""
+import numpy as np
+
+
+class Majoube1971:  # pylint: disable=too-few-public-methods
+    def __init__(self, _):
+        pass
+
+    @staticmethod
+    def alpha_l_18O(const, T):
+        return np.exp(
+            const.MAJOUBE_1971_ALPHA_L_18O_T2 / T**2
+            + const.MAJOUBE_1971_ALPHA_L_18O_T1 / T
+            + const.MAJOUBE_1971_ALPHA_L_18O_T0
+        )
+
+    @staticmethod
+    def alpha_l_2H(const, T):
+        return np.exp(
+            const.MAJOUBE_1971_ALPHA_L_2H_T2 / T**2
+            + const.MAJOUBE_1971_ALPHA_L_2H_T1 / T
+            + const.MAJOUBE_1971_ALPHA_L_2H_T0
+        )

PySDM-2.40/PySDM/physics/isotope_equilibrium_fractionation_factors/merlivat_and_nief_1967.py

@@ -0,0 +1,26 @@
+"""
+Equilibrium fractionation factors from
+[Merlivat and Nief 1967](https://doi.org/10.3402/tellusa.v19i1.9756)
+"""
+import numpy as np
+
+
+class MerlivatAndNief1967:
+    def __init__(self, _):
+        pass
+
+    @staticmethod
+    def alpha_l_2H(const, T):
+        return np.exp(
+            const.MERLIVAT_NIEF_1967_ALPHA_L_2H_T2 / T**2
+            + const.MERLIVAT_NIEF_1967_ALPHA_L_2H_T1 / T
+            + const.MERLIVAT_NIEF_1967_ALPHA_L_2H_T0
+        )
+
+    @staticmethod
+    def alpha_i_2H(const, T):
+        return np.exp(
+            const.MERLIVAT_NIEF_1967_ALPHA_I_2H_T2 / T**2
+            + const.MERLIVAT_NIEF_1967_ALPHA_I_2H_T1 / T
+            + const.MERLIVAT_NIEF_1967_ALPHA_I_2H_T0
+        )

{PySDM-2.35 → PySDM-2.40}/PySDM/physics/isotope_equilibrium_fractionation_factors/van_hook_1968.py

@@ -9,67 +9,67 @@ class VanHook1968:
         pass
 
     @staticmethod
-    def alpha_l_HDO(const, T):
+    def alpha_l_2H(const, T):
         return np.exp(
-            const.VAN_HOOK_1968_ALPHA_L_HDO_A / T**2
-            + const.VAN_HOOK_1968_ALPHA_L_HDO_B / T
-            + const.VAN_HOOK_1968_ALPHA_L_HDO_C
+            const.VAN_HOOK_1968_ALPHA_L_2H_A / T**2
+            + const.VAN_HOOK_1968_ALPHA_L_2H_B / T
+            + const.VAN_HOOK_1968_ALPHA_L_2H_C
         )
 
     @staticmethod
-    def alpha_i_HDO(const, T):
+    def alpha_i_2H(const, T):
         return np.exp(
-            const.VAN_HOOK_1968_ALPHA_I_HDO_A / T**2
-            + const.VAN_HOOK_1968_ALPHA_I_HDO_B / T
-            + const.VAN_HOOK_1968_ALPHA_I_HDO_C
+            const.VAN_HOOK_1968_ALPHA_I_2H_A / T**2
+            + const.VAN_HOOK_1968_ALPHA_I_2H_B / T
+            + const.VAN_HOOK_1968_ALPHA_I_2H_C
         )
 
     @staticmethod
-    def alpha_l_H2_18O(const, T):
+    def alpha_l_18O(const, T):
         return np.exp(
-            const.VAN_HOOK_1968_ALPHA_L_H218O_A / T**2
-            + const.VAN_HOOK_1968_ALPHA_L_H218O_B / T
-            + const.VAN_HOOK_1968_ALPHA_L_H218O_C
+            const.VAN_HOOK_1968_ALPHA_L_18O_A / T**2
+            + const.VAN_HOOK_1968_ALPHA_L_18O_B / T
+            + const.VAN_HOOK_1968_ALPHA_L_18O_C
         )
 
     @staticmethod
-    def alpha_i_H2_18O(const, T):
+    def alpha_i_18O(const, T):
         return np.exp(
-            const.VAN_HOOK_1968_ALPHA_I_H218O_A / T**2
-            + const.VAN_HOOK_1968_ALPHA_I_H218O_B / T
-            + const.VAN_HOOK_1968_ALPHA_I_H218O_C
+            const.VAN_HOOK_1968_ALPHA_I_18O_A / T**2
+            + const.VAN_HOOK_1968_ALPHA_I_18O_B / T
+            + const.VAN_HOOK_1968_ALPHA_I_18O_C
         )
 
     @staticmethod
-    def alpha_l_H2_17O(const, T):
+    def alpha_l_17O(const, T):
         return np.exp(
-            const.VAN_HOOK_1968_ALPHA_L_H217O_A / T**2
-            + const.VAN_HOOK_1968_ALPHA_L_H217O_B / T
-            + const.VAN_HOOK_1968_ALPHA_L_H217O_C
+            const.VAN_HOOK_1968_ALPHA_L_17O_A / T**2
+            + const.VAN_HOOK_1968_ALPHA_L_17O_B / T
+            + const.VAN_HOOK_1968_ALPHA_L_17O_C
         )
 
     @staticmethod
-    def alpha_i_H2_17O(const, T):
+    def alpha_i_17O(const, T):
         return np.exp(
-            const.VAN_HOOK_1968_ALPHA_I_H217O_A / T**2
-            + const.VAN_HOOK_1968_ALPHA_I_H217O_B / T
-            + const.VAN_HOOK_1968_ALPHA_I_H217O_C
+            const.VAN_HOOK_1968_ALPHA_I_17O_A / T**2
+            + const.VAN_HOOK_1968_ALPHA_I_17O_B / T
+            + const.VAN_HOOK_1968_ALPHA_I_17O_C
         )
 
     @staticmethod
-    def alpha_l_HOT(const, T):
+    def alpha_l_3H(const, T):
         return np.exp(
-            const.VAN_HOOK_1968_ALPHA_L_HOT_A / T**2
-            + const.VAN_HOOK_1968_ALPHA_L_HOT_B / T
-            + const.VAN_HOOK_1968_ALPHA_L_HOT_C
+            const.VAN_HOOK_1968_ALPHA_L_3H_A / T**2
+            + const.VAN_HOOK_1968_ALPHA_L_3H_B / T
+            + const.VAN_HOOK_1968_ALPHA_L_3H_C
         )
 
     @staticmethod
-    def alpha_i_HOT(const, T):
+    def alpha_i_3H(const, T):
         return np.exp(
-            const.VAN_HOOK_1968_ALPHA_I_HOT_A / T**2
-            + const.VAN_HOOK_1968_ALPHA_I_HOT_B / T
-            + const.VAN_HOOK_1968_ALPHA_I_HOT_C
+            const.VAN_HOOK_1968_ALPHA_I_3H_A / T**2
+            + const.VAN_HOOK_1968_ALPHA_I_3H_B / T
+            + const.VAN_HOOK_1968_ALPHA_I_3H_C
         )
 
     @staticmethod

{PySDM-2.35 → PySDM-2.40}/PySDM.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: PySDM
-Version: 2.35
+Version: 2.40
 Summary: Pythonic particle-based (super-droplet) warm-rain/aqueous-chemistry cloud microphysics package with box, parcel & 1D/2D prescribed-flow examples in Python, Julia and Matlab
 Home-page: https://github.com/open-atmos/PySDM
 Author: https://github.com/open-atmos/PySDM/graphs/contributors
@@ -48,10 +48,17 @@ Description: # PySDM
         
         There is a growing set of example Jupyter notebooks exemplifying how to perform 
           various types of calculations and simulations using PySDM.
-        Most of the example notebooks reproduce resutls and plot from literature, see below for 
+        Most of the example notebooks reproduce results and plot from literature, see below for 
           a list of examples and links to the notebooks (which can be either executed or viewed 
           "in the cloud").
         
+        There are also a growing set of [tutorials](https://github.com/open-atmos/PySDM/tree/main/tutorials), also in the form of Jupyter notebooks.
+        These tutorials are intended for teaching purposes and include short explanations of cloud microphysical 
+          concepts paired with widgets for running interactive simulations using PySDM.
+        Each tutorial also comes with a set of questions at the end that can be used as homework problems.
+        Like the examples, these tutorials can be executed or viewed "in the cloud" making it an especially 
+          easy way for students to get started.
+        
         PySDM has two alternative parallel number-crunching backends 
           available: multi-threaded CPU backend based on [Numba](http://numba.pydata.org/) 
           and GPU-resident backend built on top of [ThrustRTC](https://pypi.org/project/ThrustRTC/).
@@ -789,20 +796,23 @@ Description: # PySDM
         The development and maintenance of PySDM is led by [Sylwester Arabas](https://github.com/slayoo/).
         [Piotr Bartman](https://github.com/piotrbartman/) had been the architect and main developer 
         of technological solutions in PySDM. 
-        The suite of examples shipped with PySDM includes contributions from researchers 
+        PySDM includes contributions from researchers 
         from [Jagiellonian University](https://en.uj.edu.pl/en) departments of computer science, physics and chemistry;
-        and from 
-        [Caltech's Climate Modelling Alliance](https://clima.caltech.edu/).
+        from [Caltech's Climate Modelling Alliance](https://clima.caltech.edu/),
+        from [University of Warsaw](https://en.uw.edu.pl/) (dept. physics), and
+        from [AGH University of Krakow](https://agh.edu.pl/en) (dept. physics \& applied computer science) where release maintenance takes place currently.
         
         Development of PySDM had been initially supported by the EU through a grant of the 
-        [Foundation for Polish Science](https://www.fnp.org.pl/)) (POIR.04.04.00-00-5E1C/18) 
+        [Foundation for Polish Science](https://www.fnp.org.pl/)) (grant no. POIR.04.04.00-00-5E1C/18) 
         realised at the [Jagiellonian University](https://en.uj.edu.pl/en).
-        The immersion freezing support in PySDM is developed with support from the
+        The immersion freezing support in PySDM was developed with support from the
         US Department of Energy [Atmospheric System Research](https://asr.science.energy.gov/) programme
-        through a grant realised at the 
+        through a grant (no. DE-SC0021034) realised at the 
         [University of Illinois at Urbana-Champaign](https://illinois.edu/).
+        Development of isotopic fractionation representation and mixed-phase support is carried out with support from
+        the [Polish National Science Centre](https://ncn.gov.pl/en) (grant no. 2020/39/D/ST10/01220).
         
-        copyright: [Jagiellonian University](https://en.uj.edu.pl/en)    
+        copyright: [Jagiellonian University](https://en.uj.edu.pl/en) (2019-2023) & [AGH University of Krakow](https://agh.edu.pl/en) (2023-...)    
         licence: [GPL v3](https://www.gnu.org/licenses/gpl-3.0.html)
         
         ## Related resources and open-source projects

{PySDM-2.35 → PySDM-2.40}/PySDM.egg-info/SOURCES.txt

@@ -262,6 +262,7 @@ PySDM/physics/impl/flag.py
 PySDM/physics/isotope_equilibrium_fractionation_factors/__init__.py
 PySDM/physics/isotope_equilibrium_fractionation_factors/barkan_and_luz_2005.py
 PySDM/physics/isotope_equilibrium_fractionation_factors/bolot_et_al_2013.py
+PySDM/physics/isotope_equilibrium_fractionation_factors/graf_phd_2017.py
 PySDM/physics/isotope_equilibrium_fractionation_factors/horita_and_wesolowski_1994.py
 PySDM/physics/isotope_equilibrium_fractionation_factors/majoube_1970.py
 PySDM/physics/isotope_equilibrium_fractionation_factors/majoube_1971.py
@@ -451,6 +452,9 @@ examples/PySDM_examples/Grabowski_and_Pawlowska_2023/figure_4.ipynb
 examples/PySDM_examples/Grabowski_and_Pawlowska_2023/figure_ripening_rate.ipynb
 examples/PySDM_examples/Grabowski_and_Pawlowska_2023/settings.py
 examples/PySDM_examples/Grabowski_and_Pawlowska_2023/simulation.py
+examples/PySDM_examples/Graf_et_al_2019/Table_1.ipynb
+examples/PySDM_examples/Graf_et_al_2019/__init__.py
+examples/PySDM_examples/Graf_et_al_2019/figure_4.ipynb
 examples/PySDM_examples/Jaruga_and_Pawlowska_2018/__init__.py
 examples/PySDM_examples/Jaruga_and_Pawlowska_2018/fig_2.ipynb
 examples/PySDM_examples/Jaruga_and_Pawlowska_2018/fig_3.ipynb
@@ -485,8 +489,11 @@ examples/PySDM_examples/Pierchala_et_al_2022/fig_3.ipynb
 examples/PySDM_examples/Pierchala_et_al_2022/fig_4.ipynb
 examples/PySDM_examples/Pyrcel/__init__.py
 examples/PySDM_examples/Pyrcel/example_basic_run.ipynb
+examples/PySDM_examples/Pyrcel/profile_plotter.py
 examples/PySDM_examples/Pyrcel/settings.py
 examples/PySDM_examples/Pyrcel/simulation.py
+examples/PySDM_examples/Pyrcel/tutorial_settings.py
+examples/PySDM_examples/Pyrcel/tutorial_simulation.py
 examples/PySDM_examples/Shima_et_al_2009/__init__.py
 examples/PySDM_examples/Shima_et_al_2009/error_measure.py
 examples/PySDM_examples/Shima_et_al_2009/example.py
@@ -494,6 +501,9 @@ examples/PySDM_examples/Shima_et_al_2009/example_timing.py
 examples/PySDM_examples/Shima_et_al_2009/fig_2.ipynb
 examples/PySDM_examples/Shima_et_al_2009/settings.py
 examples/PySDM_examples/Shima_et_al_2009/spectrum_plotter.py
+examples/PySDM_examples/Shima_et_al_2009/tutorial_example.py
+examples/PySDM_examples/Shima_et_al_2009/tutorial_plotter.py
+examples/PySDM_examples/Shima_et_al_2009/tutorial_settings.py
 examples/PySDM_examples/Shipway_and_Hill_2012/__init__.py
 examples/PySDM_examples/Shipway_and_Hill_2012/fig_1.ipynb
 examples/PySDM_examples/Shipway_and_Hill_2012/mpdata_1d.py
@@ -543,6 +553,7 @@ examples/PySDM_examples/deJong_Mackay_et_al_2023/data/straub_fig10.csv
 examples/PySDM_examples/utils/__init__.py
 examples/PySDM_examples/utils/basic_simulation.py
 examples/PySDM_examples/utils/dummy_controller.py
+examples/PySDM_examples/utils/notebook_vars.py
 examples/PySDM_examples/utils/progbar_controller.py
 examples/PySDM_examples/utils/read_vtk_1d.py
 examples/PySDM_examples/utils/widgets/__init__.py
@@ -601,8 +612,8 @@ tests/smoke_tests/no_env/pierchala_et_al_2022/__init__.py
 tests/smoke_tests/no_env/pierchala_et_al_2022/test_fig_3.py
 tests/smoke_tests/no_env/pierchala_et_al_2022/test_fig_4.py
 tests/smoke_tests/no_env/pierchala_et_al_2022/test_supplement.py
-tests/smoke_tests/no_env/pierchala_et_al_2022/utils.py
 tests/smoke_tests/parcel/abdul_razzak_ghan_2000/__init__.py
+tests/smoke_tests/parcel/abdul_razzak_ghan_2000/test_ARG_example.py
 tests/smoke_tests/parcel/abdul_razzak_ghan_2000/test_just_do_it.py
 tests/smoke_tests/parcel/abdul_razzak_ghan_2000/test_single_supersaturation_peak.py
 tests/smoke_tests/parcel/arabas_and_shima_2017/__init__.py
@@ -617,6 +628,9 @@ tests/smoke_tests/parcel/grabowski_and_pawlowska_2023/test_figure_1_and_2.py
 tests/smoke_tests/parcel/grabowski_and_pawlowska_2023/test_figure_3.py
 tests/smoke_tests/parcel/grabowski_and_pawlowska_2023/test_figure_4.py
 tests/smoke_tests/parcel/grabowski_and_pawlowska_2023/test_ripening_rate.py
+tests/smoke_tests/parcel/graf_et_al_2019/__init__.py
+tests/smoke_tests/parcel/graf_et_al_2019/test_fig_4.py
+tests/smoke_tests/parcel/graf_et_al_2019/test_table_1.py
 tests/smoke_tests/parcel/kreidenweis_et_al_2003/__init__.py
 tests/smoke_tests/parcel/kreidenweis_et_al_2003/test_fig_1.py
 tests/smoke_tests/parcel/kreidenweis_et_al_2003/test_ionic_strength.py
@@ -624,6 +638,7 @@ tests/smoke_tests/parcel/kreidenweis_et_al_2003/test_spectrum_at_t_0.py
 tests/smoke_tests/parcel/kreidenweis_et_al_2003/test_table_3.py
 tests/smoke_tests/parcel/lowe_et_al_2019/__init__.py
 tests/smoke_tests/parcel/lowe_et_al_2019/conftest.py
+tests/smoke_tests/parcel/lowe_et_al_2019/test_dz_sensitivity.py
 tests/smoke_tests/parcel/lowe_et_al_2019/test_fig_1.py
 tests/smoke_tests/parcel/lowe_et_al_2019/test_fig_2.py
 tests/smoke_tests/parcel/lowe_et_al_2019/test_surface_tension_models.py
@@ -636,6 +651,9 @@ tests/smoke_tests/parcel/yang_et_al_2018/__init__.py
 tests/smoke_tests/parcel/yang_et_al_2018/test_displacement.py
 tests/smoke_tests/parcel/yang_et_al_2018/test_initialisation.py
 tests/smoke_tests/parcel/yang_et_al_2018/test_just_do_it.py
+tests/tutorials_tests/__init__.py
+tests/tutorials_tests/conftest.py
+tests/tutorials_tests/test_run_notebooks.py
 tests/unit_tests/__init__.py
 tests/unit_tests/conftest.py
 tests/unit_tests/dummy_environment.py
@@ -725,4 +743,9 @@ tests/unit_tests/products/test_collision_rates.py
 tests/unit_tests/products/test_concentration_product.py
 tests/unit_tests/products/test_cooling_rate.py
 tests/unit_tests/products/test_impl.py
-tests/unit_tests/products/test_particle_size_product.py
+tests/unit_tests/products/test_particle_size_product.py
+tutorials/README.md
+tutorials/collisions/collection_droplet.svg
+tutorials/collisions/collisions_playground.ipynb
+tutorials/condensation/condensation_playground.ipynb
+tutorials/condensation/kohler_curve.svg