PySDM-examples 3.0.0rc2__tar.gz → 3.0.0rc4__tar.gz

{pysdm_examples-3.0.0rc2 → pysdm_examples-3.0.0rc4}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: pysdm-examples
-Version: 3.0.0rc2
+Version: 3.0.0rc4
 Summary: PySDM usage examples reproducing results from literature and depicting how to use PySDM from Python Jupyter notebooks
 Home-page: https://github.com/open-atmos/PySDM
 Author: https://github.com/open-atmos/PySDM/graphs/contributors

{pysdm_examples-3.0.0rc2 → pysdm_examples-3.0.0rc4}/PySDM_examples/Abade_and_Albuquerque_2024/settings.py

@@ -1,6 +1,6 @@
 from pystrict import strict
 
-from PySDM import Formulae
+from PySDM.backends import CPU
 from PySDM.physics import si
 from PySDM.initialisation.spectra import Lognormal
 
@@ -10,48 +10,42 @@ class Settings:
     def __init__(
         self,
         *,
+        backend: CPU,
         n_sd: int,
         timestep: float,
+        # default values correspond to paper settings
+        singular: bool = True,
         enable_immersion_freezing: bool = True,
         enable_vapour_deposition_on_ice: bool = True,
         inp_frac: float = 0.1,
+        kappa: float = 0.6,
+        updraft: float = 0.5 * si.m / si.s,
     ):
+        self.backend = backend
         self.n_sd = n_sd
         self.timestep = timestep
         self.enable_immersion_freezing = enable_immersion_freezing
         self.enable_vapour_deposition_on_ice = enable_vapour_deposition_on_ice
-
+        self.singular = singular
         self.initial_total_pressure = 1000 * si.hPa  # note: not given in the paper
 
-        # parameters from the paper
-        self.formulae = Formulae(
-            constants={
-                "bulk_phase_partitioning_exponent": 0.1,
-                "NIEMAND_A": -0.517,
-                "NIEMAND_B": 8.934,
-            },
-            bulk_phase_partitioning="KaulEtAl2015",
-            particle_shape_and_density="MixedPhaseSpheres",
-            diffusion_coordinate="WaterMassLogarithm",
-            freezing_temperature_spectrum="Niemand_et_al_2012",
-        )
         self.initial_water_vapour_mixing_ratio = 1.5 * si.g / si.kg
         self.parcel_linear_extent = 100 * si.m
-        self.updraft = 0.5 * si.m / si.s
+        self.updraft = updraft
         self.freezing_inp_frac = inp_frac
         self.freezing_inp_dry_radius = 0.5 * si.um
 
-        thd_0 = self.formulae.state_variable_triplet.th_dry(
+        thd_0 = backend.formulae.state_variable_triplet.th_dry(
             th_std=269 * si.K,
             water_vapour_mixing_ratio=self.initial_water_vapour_mixing_ratio,
         )
-        rhod_0 = self.formulae.state_variable_triplet.rho_d(
+        rhod_0 = backend.formulae.state_variable_triplet.rho_d(
             p=self.initial_total_pressure,
             water_vapour_mixing_ratio=self.initial_water_vapour_mixing_ratio,
             theta_std=thd_0,
         )
 
-        self.mass_of_dry_air = rhod_0 * self.formulae.trivia.volume(
+        self.mass_of_dry_air = rhod_0 * backend.formulae.trivia.volume(
             radius=self.parcel_linear_extent
         )
         self.soluble_aerosol = Lognormal(
@@ -61,7 +55,7 @@ class Settings:
             m_mode=75 * si.nm,
             s_geom=1.6,
         )
-        self.kappa = 0.6
-        self.initial_temperature = self.formulae.state_variable_triplet.T(
+        self.kappa = kappa
+        self.initial_temperature = backend.formulae.state_variable_triplet.T(
             rhod=rhod_0, thd=thd_0
         )

{pysdm_examples-3.0.0rc2 → pysdm_examples-3.0.0rc4}/PySDM_examples/Abade_and_Albuquerque_2024/simulation.py

@@ -3,7 +3,6 @@ import numpy as np
 from PySDM_examples.utils import BasicSimulation
 
 from PySDM import Builder
-from PySDM.backends import CPU
 from PySDM.dynamics import (
     Condensation,
     AmbientThermodynamics,
@@ -24,7 +23,7 @@ from PySDM.environments import Parcel
 class Simulation(BasicSimulation):
     def __init__(self, settings):
         builder = Builder(
-            backend=CPU(settings.formulae, override_jit_flags={"parallel": False}),
+            backend=settings.backend,
             n_sd=settings.n_sd,
             environment=Parcel(
                 dt=settings.timestep,
@@ -40,9 +39,15 @@ class Simulation(BasicSimulation):
         builder.add_dynamic(Condensation())
 
         if settings.enable_immersion_freezing:
-            builder.add_dynamic(Freezing(immersion_freezing="singular"))
+            builder.add_dynamic(
+                Freezing(
+                    immersion_freezing=(
+                        "singular" if settings.singular else "time-dependent"
+                    )
+                )
+            )
         if settings.enable_vapour_deposition_on_ice:
-            builder.add_dynamic(VapourDepositionOnIce())
+            builder.add_dynamic(VapourDepositionOnIce(adaptive=True))
 
         r_dry, n_in_dv = ConstantMultiplicity(settings.soluble_aerosol).sample(
             n_sd=settings.n_sd
@@ -62,18 +67,28 @@ class Simulation(BasicSimulation):
             n_inp = int(settings.n_sd * settings.freezing_inp_frac)
 
             rng = np.random.default_rng(seed=builder.particulator.formulae.seed)
-
-            attributes["freezing temperature"] = rng.permutation(
+            insoluble_surface_area = trivia.sphere_surface(
+                diameter=2 * settings.freezing_inp_dry_radius
+            )
+            attributes[
+                "freezing temperature" if settings.singular else "immersed surface area"
+            ] = rng.permutation(
                 np.pad(
-                    builder.particulator.formulae.freezing_temperature_spectrum.invcdf(
-                        cdf=rng.uniform(low=0, high=1, size=n_inp),
-                        A_insol=trivia.sphere_surface(
-                            diameter=2 * settings.freezing_inp_dry_radius
-                        ),
+                    (
+                        builder.particulator.formulae.freezing_temperature_spectrum.invcdf(
+                            cdf=rng.uniform(low=0, high=1, size=n_inp),
+                            A_insol=insoluble_surface_area,
+                        )
+                        if settings.singular
+                        else np.full(n_inp, insoluble_surface_area)
                     ),
                     (0, settings.n_sd - n_inp),
                     mode="constant",
-                    constant_values=(trivia.C2K(-38)),
+                    constant_values=(
+                        builder.particulator.formulae.constants.HOMOGENEOUS_FREEZING_THRESHOLD
+                        if settings.singular
+                        else 0
+                    ),
                 )
             )
 

{pysdm_examples-3.0.0rc2 → pysdm_examples-3.0.0rc4}/PySDM_examples/Arabas_and_Shima_2017/simulation.py

@@ -1,7 +1,7 @@
 import numpy as np
 
 import PySDM.products as PySDM_products
-from PySDM.backends import CPU
+from PySDM.backends import Numba
 from PySDM.builder import Builder
 from PySDM.dynamics import AmbientThermodynamics, Condensation
 from PySDM.environments import Parcel
@@ -10,7 +10,7 @@ from PySDM.physics import constants as const
 
 
 class Simulation:
-    def __init__(self, settings, backend=CPU):
+    def __init__(self, settings, backend=Numba):
         t_half = settings.z_half / settings.w_avg
 
         dt_output = (2 * t_half) / settings.n_output
@@ -23,7 +23,7 @@ class Simulation:
                 formulae=settings.formulae,
                 **(
                     {"override_jit_flags": {"parallel": False}}
-                    if backend == CPU
+                    if backend is Numba
                     else {}
                 ),
             ),

{pysdm_examples-3.0.0rc2 → pysdm_examples-3.0.0rc4}/PySDM_examples/Arabas_et_al_2015/example_benchmark.py

@@ -6,7 +6,7 @@ from PySDM_examples.utils.kinematic_2d import Simulation, Storage
 
 import PySDM.backends.impl_numba.conf
 from PySDM import Formulae
-from PySDM.backends import CPU, GPU
+from PySDM.backends import Numba, ThrustRTC
 from PySDM.products import WallTime
 
 
@@ -42,11 +42,11 @@ def main():
     n_sd = range(14, 16, 1)
 
     times = {}
-    backends = [(CPU, "sync"), (CPU, "async")]
-    if GPU.ENABLE:
-        backends.append((GPU, "async"))
+    backends = [(Numba, "sync"), (Numba, "async")]
+    if ThrustRTC.ENABLE:
+        backends.append((ThrustRTC, "async"))
     for backend, mode in backends:
-        if backend is CPU:
+        if backend is Numba:
             PySDM.backends.impl_numba.conf.NUMBA_PARALLEL = mode
             reload_cpu_backend()
         key = f"{backend} (mode={mode})"

{pysdm_examples-3.0.0rc2 → pysdm_examples-3.0.0rc4}/PySDM_examples/Arabas_et_al_2025/commons.py

@@ -5,6 +5,7 @@ from PySDM.physics import si
 
 FREEZING_CONSTANTS = {
     "dust": {
+        # [Alpert and Knopf (2016, Table 2)](https://doi.org/10.5194/acp-16-2083-2016)
         "NIEMAND_A": -0.517,
         "NIEMAND_B": 8.934,
         "ABIFM_M": 22.62,

{pysdm_examples-3.0.0rc2 → pysdm_examples-3.0.0rc4}/PySDM_examples/Bulenok_2023_MasterThesis/utils.py

@@ -95,7 +95,7 @@ def go_benchmark(
         backend_configs.append((GPU, None))
 
     for backend_class, n_threads in backend_configs:
-        backend_name = backend_class.__name__
+        backend_name = backend_class().__class__.__name__
         if n_threads:
             numba.set_num_threads(n_threads)
             backend_name += "_" + str(numba.get_num_threads())

{pysdm_examples-3.0.0rc2 → pysdm_examples-3.0.0rc4}/PySDM_examples/Shima_et_al_2009/example.py

@@ -12,21 +12,12 @@ from PySDM.environments import Box
 from PySDM.initialisation.sampling.spectral_sampling import ConstantMultiplicity
 from PySDM.products import ParticleVolumeVersusRadiusLogarithmSpectrum, WallTime
 
-_BACKEND_CACHE = {}
-
-
-def backend_factory(backend_class, formulae):
-    key = backend_class.__name__ + ":" + str(formulae)
-    if key not in _BACKEND_CACHE:
-        _BACKEND_CACHE[key] = backend_class(formulae=formulae)
-    return _BACKEND_CACHE[key]
-
 
 def run(settings, backend=CPU, observers=()):
     env = Box(dv=settings.dv, dt=settings.dt)
     builder = Builder(
         n_sd=settings.n_sd,
-        backend=backend_factory(backend, formulae=settings.formulae),
+        backend=backend(formulae=settings.formulae),
         environment=env,
     )
     attributes = {}

{pysdm_examples-3.0.0rc2 → pysdm_examples-3.0.0rc4}/PySDM_examples/Spichtinger_et_al_2023/simulation.py

@@ -3,7 +3,7 @@ import numpy as np
 from PySDM_examples.utils import BasicSimulation
 
 import PySDM.products as PySDM_products
-from PySDM.backends import CPU
+from PySDM.backends import Numba
 from PySDM.builder import Builder
 from PySDM.dynamics import (
     AmbientThermodynamics,
@@ -17,7 +17,7 @@ from PySDM.initialisation.hygroscopic_equilibrium import equilibrate_wet_radii
 
 
 class Simulation(BasicSimulation):
-    def __init__(self, settings, backend=CPU):
+    def __init__(self, settings, backend=Numba):
 
         dt = settings.dt
 
@@ -38,7 +38,7 @@ class Simulation(BasicSimulation):
                 formulae=settings.formulae,
                 **(
                     {"override_jit_flags": {"parallel": False}}
-                    if backend == CPU
+                    if backend is Numba
                     else {}
                 ),
             ),

{pysdm_examples-3.0.0rc2 → pysdm_examples-3.0.0rc4}/PySDM_examples/utils/kinematic_2d/simulation.py

@@ -20,16 +20,6 @@ from PySDM.environments import Kinematic2D
 from PySDM.initialisation.sampling import spatial_sampling
 
 
-_BACKEND_CACHE = {}
-
-
-def backend_factory(backend_class, formulae):
-    key = backend_class.__name__ + ":" + str(formulae)
-    if key not in _BACKEND_CACHE:
-        _BACKEND_CACHE[key] = backend_class(formulae=formulae)
-    return _BACKEND_CACHE[key]
-
-
 class Simulation:
     def __init__(self, settings, storage, SpinUp, backend_class=CPU):
         self.settings = settings
@@ -44,7 +34,7 @@ class Simulation:
 
     def reinit(self, products=None):
         formulae = self.settings.formulae
-        backend = backend_factory(self.backend_class, formulae=formulae)
+        backend = self.backend_class(formulae=formulae)
         environment = Kinematic2D(
             dt=self.settings.dt,
             grid=self.settings.grid,

{pysdm_examples-3.0.0rc2 → pysdm_examples-3.0.0rc4}/pysdm_examples.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: pysdm-examples
-Version: 3.0.0rc2
+Version: 3.0.0rc4
 Summary: PySDM usage examples reproducing results from literature and depicting how to use PySDM from Python Jupyter notebooks
 Home-page: https://github.com/open-atmos/PySDM
 Author: https://github.com/open-atmos/PySDM/graphs/contributors