Homogeneous freezing example + FIX for mark updated attributes in homogeneous freezing and thaw + expanded unit test of record freezing temperature

PySDM/backends/impl_numba/test_helpers/scipy_ode_condensation_solver.py

@@ -83,7 +83,7 @@ def _condensation(
         RH_max=RH_max.data,
         success=success.data,
     )
-    particulator.attributes.mark_updated("water mass")
+    particulator.attributes.mark_updated("signed water mass")
 
 
 @lru_cache()

PySDM/particulator.py

@@ -546,6 +546,7 @@ def homogeneous_freezing_time_dependent(self, *, rand: Storage):
             temperature=self.environment["T"],
             relative_humidity_ice=self.environment["RH_ice"],
         )
+        self.attributes.mark_updated("signed water mass")
 
     def homogeneous_freezing_threshold(self):
         self.backend.homogeneous_freezing_threshold(
@@ -556,6 +557,7 @@ def homogeneous_freezing_threshold(self):
             temperature=self.environment["T"],
             relative_humidity_ice=self.environment["RH_ice"],
         )
+        self.attributes.mark_updated("signed water mass")
 
     def thaw_instantaneous(self):
         self.backend.thaw_instantaneous(
@@ -565,3 +567,4 @@ def thaw_instantaneous(self):
             cell=self.attributes["cell id"],
             temperature=self.environment["T"],
         )
+        self.attributes.mark_updated("signed water mass")

examples/PySDM_examples/Luettmer_homogeneous_freezing/__init__.py

@@ -0,0 +1,15 @@
+"""
+Homogeneous freezing example
+
+hom_freezing.ipynb:
+.. include:: ./hom_freezing.ipynb
+"""
+
+from .settings import Settings
+from .simulation import Simulation
+from .plot import (
+    plot_thermodynamics_and_bulk,
+    plot_freezing_temperatures_histogram,
+    plot_freezing_temperatures_2d_histogram,
+    plot_freezing_temperatures_2d_histogram_seaborn,
+)

examples/PySDM_examples/Luettmer_homogeneous_freezing/commons.py

@@ -0,0 +1,85 @@
+# import numpy as np
+from PySDM import Formulae
+from PySDM.physics.constants import si
+from PySDM.backends import CPU
+import time
+
+from PySDM_examples.Luettmer_homogeneous_freezing.settings import Settings
+from PySDM_examples.Luettmer_homogeneous_freezing.simulation import Simulation
+
+
+formulae = Formulae(
+    particle_shape_and_density="MixedPhaseSpheres",
+)
+
+
+def run_simulations(setting):
+
+    simulation = {
+        "settings": setting,
+        "ensemble_member_outputs": [],
+    }
+    for n in range(setting["number_of_ensemble_runs"]):
+        model_setup = Settings(**simulation["settings"])
+        model_setup.formulae.seed += 1
+        model = Simulation(model_setup)
+        simulation["ensemble_member_outputs"].append(model.run())
+
+    return simulation
+
+
+def hom_pure_droplet_freezing_backend():
+    backends = {
+        "threshold": CPU(
+            formulae=Formulae(
+                particle_shape_and_density="MixedPhaseSpheres",
+                homogeneous_ice_nucleation_rate="Null",
+                saturation_vapour_pressure="MurphyKoop2005",
+                seed=time.time_ns(),
+            )
+        ),
+        "KoopMurray2016": CPU(
+            formulae=Formulae(
+                particle_shape_and_density="MixedPhaseSpheres",
+                homogeneous_ice_nucleation_rate="KoopMurray2016",
+                saturation_vapour_pressure="MurphyKoop2005",
+                seed=time.time_ns(),
+            )
+        ),
+        "Spichtinger2023": CPU(
+            formulae=Formulae(
+                particle_shape_and_density="MixedPhaseSpheres",
+                homogeneous_ice_nucleation_rate="Koop_Correction",
+                saturation_vapour_pressure="MurphyKoop2005",
+                seed=time.time_ns(),
+            )
+        ),
+        "Koop2000": CPU(
+            formulae=Formulae(
+                particle_shape_and_density="MixedPhaseSpheres",
+                homogeneous_ice_nucleation_rate="Koop2000",
+                saturation_vapour_pressure="MurphyKoop2005",
+                seed=time.time_ns(),
+            )
+        ),
+    }
+    return backends
+
+
+def hom_pure_droplet_freezing_standard_setup():
+    standard = {
+        "n_sd": int(1e3),
+        "w_updraft": 1.0 * si.meter / si.second,
+        "T0": formulae.trivia.C2K(-25),
+        "dz": 0.1 * si.meter,
+        "N_dv_droplet_distribution": 750 / si.cm**3,
+        "r_mean_droplet_distribution": 15 * si.nanometer,
+        "type_droplet_distribution": "monodisperse",
+        "RH_0": 0.995,
+        "p0": 500 * si.hectopascals,
+        "condensation_enable": True,
+        "deposition_enable": True,
+        "deposition_adaptive": True,
+        "number_of_ensemble_runs": 1,
+    }
+    return standard