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slayoojcurtis2tangwhiap
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immersion freezing support (temporarily pointing to a non-default imf partmc repo branch) and new example notebook reproducing results from Tang et al. 2025 (#441)
Co-authored-by: Jeff Curtis <[email protected]> Co-authored-by: tangwhiap <[email protected]>
1 parent 1166864 commit 680b763

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-5429
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‎CMakeLists.txt‎

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@@ -197,7 +197,7 @@ set(partmclib_SOURCES condense_solver.c aero_state.F90 integer_varray.F90 intege
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gas_state.F90 coagulation.F90 exact_soln.F90 coagulation_dist.F90 coag_kernel.F90 spec_line.F90
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rand.F90 aero_particle.F90 aero_particle_array.F90 mpi.F90 netcdf.F90 aero_info.F90
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aero_info_array.F90 nucleate.F90 condense.F90 fractal.F90 chamber.F90 camp_interface.F90
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photolysis.F90 aero_component.F90 tchem_interface.F90
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photolysis.F90 aero_component.F90 tchem_interface.F90 ice_nucleation.F90
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)
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add_prefix(gitmodules/partmc/src/ partmclib_SOURCES)
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list(APPEND partmclib_SOURCES src/spec_file_pypartmc.F90 src/sys.F90)

‎README.md‎

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@@ -91,6 +91,11 @@ pip install PyPartMC[examples]
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[![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/open-atmos/PyPartMC/blob/main/examples/cloud_parcel.ipynb)
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[![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/open-atmos/PyPartMC.git/main?urlpath=lab/tree/examples/cloud_parcel.ipynb)
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[![ARM JupyterHub](https://img.shields.io/static/v1?label=launch%20in&logo=jupyter&color=lightblue&message=ARM+JupyterHub)](https://jupyterhub.arm.gov/hub/user-redirect/git-pull?repo=https%3A//github.com/open-atmos/PyPartMC&branch=main&urlPath=)
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- Immersion freezing example:
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[![View notebook](https://img.shields.io/static/v1?label=render%20on&logo=github&color=87ce3e&message=GitHub)](https://github.com/open-atmos/PyPartMC/blob/main/examples/immersion_freezing.ipynb)
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[![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/open-atmos/PyPartMC/blob/main/examples/immersion_freezing.ipynb)
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[![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/open-atmos/PyPartMC.git/main?urlpath=lab/tree/examples/immersion_freezing.ipynb)
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[![ARM JupyterHub](https://img.shields.io/static/v1?label=launch%20in&logo=jupyter&color=lightblue&message=ARM+JupyterHub)](https://jupyterhub.arm.gov/hub/user-redirect/git-pull?repo=https%3A//github.com/open-atmos/PyPartMC&branch=main&urlPath=)
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- Coagulation model intercomparison for additive (Golovin) kernel with: PyPartMC, [PySDM](https://open-atmos.github.io/PySDM), [Droplets.jl](https://github.com/emmacware/droplets.jl) and [dustpy](https://stammler.github.io/dustpy/):
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[![View notebook](https://img.shields.io/static/v1?label=render%20on&logo=github&color=87ce3e&message=GitHub)](https://github.com/open-atmos/PyPartMC/blob/main/examples/additive_coag_comparison.ipynb)
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[![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/open-atmos/PyPartMC/blob/main/examples/additive_coag_comparison.ipynb)
@@ -133,9 +138,9 @@ import PyPartMC as ppmc
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from PyPartMC import si
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aero_data = ppmc.AeroData((
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# [density, ions in solution, molecular weight, kappa]
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{"OC": [1000 *si.kg/si.m**3, 0, 1e-3 *si.kg/si.mol, 0.001]},
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{"BC": [1800 *si.kg/si.m**3, 0, 1e-3 *si.kg/si.mol, 0]},
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# [density, ions in solution, molecular weight, kappa, abifm_m, abifm_c]
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{"OC": [1000 *si.kg/si.m**3, 0, 1e-3 *si.kg/si.mol, 0.001, 0, 0]},
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{"BC": [1800 *si.kg/si.m**3, 0, 1e-3 *si.kg/si.mol, 0, 0 , 0]},
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))
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aero_dist = ppmc.AeroDist(
@@ -176,9 +181,9 @@ ppmc = pyimport("PyPartMC")
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si = ppmc["si"]
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aero_data = ppmc.AeroData((
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# (density, ions in solution, molecular weight, kappa)
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Dict("OC"=>(1000 * si.kg/si.m^3, 0, 1e-3 * si.kg/si.mol, 0.001)),
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Dict("BC"=>(1800 * si.kg/si.m^3, 0, 1e-3 * si.kg/si.mol, 0))
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# (density, ions in solution, molecular weight, kappa, abifm_m, abifm_c)
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Dict("OC"=>(1000 * si.kg/si.m^3, 0, 1e-3 * si.kg/si.mol, 0.001, 0, 0)),
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Dict("BC"=>(1800 * si.kg/si.m^3, 0, 1e-3 * si.kg/si.mol, 0, 0, 0))
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))
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aero_dist = ppmc.AeroDist(aero_data, (
@@ -219,8 +224,8 @@ ppmc = py.importlib.import_module('PyPartMC');
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si = py.importlib.import_module('PyPartMC').si;
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aero_data = ppmc.AeroData(py.tuple({ ...
222-
py.dict(pyargs("OC", py.tuple({1000 * si.kg/si.m^3, 0, 1e-3 * si.kg/si.mol, 0.001}))), ...
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py.dict(pyargs("BC", py.tuple({1800 * si.kg/si.m^3, 0, 1e-3 * si.kg/si.mol, 0}))) ...
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py.dict(pyargs("OC", py.tuple({1000 * si.kg/si.m^3, 0, 1e-3 * si.kg/si.mol, 0.001, 0, 0}))), ...
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py.dict(pyargs("BC", py.tuple({1800 * si.kg/si.m^3, 0, 1e-3 * si.kg/si.mol, 0, 0, 0}))) ...
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}));
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aero_dist = ppmc.AeroDist(aero_data, py.tuple({ ...

‎examples/additive_coag_comparison.ipynb‎

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@@ -374,7 +374,7 @@
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" assert env_state.additive_kernel_coefficient == settings.ADDITIVE_KERNEL_COEFF\n",
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"\n",
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" aero_data = ppmc.AeroData((\n",
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" {\"H2O\": [1000 * ppmc.si.kg / ppmc.si.m**3, 0, 18.0 * ppmc.si.g / ppmc.si.mol, 0.00]},\n",
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" {\"H2O\": [1000 * ppmc.si.kg / ppmc.si.m**3, 0, 18.0 * ppmc.si.g / ppmc.si.mol, 0, 0, 0]},\n",
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" ))\n",
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" self.gas_state = ppmc.GasState(gas_data)\n",
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"\n",

‎examples/chamber.ipynb‎

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@@ -210,28 +210,27 @@
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"source": [
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"aero_data = ppmc.AeroData(\n",
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" (\n",
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" # density ions in soln (1) molecular weight kappa (1)\n",
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" # | | | |\n",
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" {\"SO4\": [1760 * si.kg / si.m**3, 1, 96.0 * si.g / si.mol, 0.00]},\n",
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" {\"NO3\": [1800 * si.kg / si.m**3, 1, 62.0 * si.g / si.mol, 0.00]},\n",
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" {\"Cl\": [2200 * si.kg / si.m**3, 1, 35.5 * si.g / si.mol, 0.00]},\n",
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" {\"NH4\": [1760 * si.kg / si.m**3, 1, 18.0 * si.g / si.mol, 0.00]},\n",
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" {\"MSA\": [1800 * si.kg / si.m**3, 0, 95.0 * si.g / si.mol, 0.53]},\n",
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" {\"ARO1\": [1400 * si.kg / si.m**3, 0, 150.0 * si.g / si.mol, 0.10]},\n",
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" {\"ARO2\": [1400 * si.kg / si.m**3, 0, 150.0 * si.g / si.mol, 0.10]},\n",
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" {\"ALK1\": [1400 * si.kg / si.m**3, 0, 140.0 * si.g / si.mol, 0.10]},\n",
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" {\"OLE1\": [1400 * si.kg / si.m**3, 0, 140.0 * si.g / si.mol, 0.10]},\n",
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" {\"API1\": [1400 * si.kg / si.m**3, 0, 184.0 * si.g / si.mol, 0.10]},\n",
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" {\"API2\": [1400 * si.kg / si.m**3, 0, 184.0 * si.g / si.mol, 0.10]},\n",
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" {\"LIM1\": [1400 * si.kg / si.m**3, 0, 200.0 * si.g / si.mol, 0.10]},\n",
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" {\"LIM2\": [1400 * si.kg / si.m**3, 0, 200.0 * si.g / si.mol, 0.10]},\n",
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" {\"CO3\": [2600 * si.kg / si.m**3, 1, 60.0 * si.g / si.mol, 0.00]},\n",
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" {\"Na\": [2200 * si.kg / si.m**3, 1, 23.0 * si.g / si.mol, 0.00]},\n",
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" {\"Ca\": [2600 * si.kg / si.m**3, 1, 40.0 * si.g / si.mol, 0.00]},\n",
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" {\"OIN\": [2600 * si.kg / si.m**3, 0, 1.0 * si.g / si.mol, 0.10]},\n",
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" {\"OC\": [1566 * si.kg / si.m**3, 0, 1.0 * si.g / si.mol, 0.001]},\n",
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" {\"BC\": [1700 * si.kg / si.m**3, 0, 1.0 * si.g / si.mol, 0.00]},\n",
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" {\"H2O\": [1000 * si.kg / si.m**3, 0, 18.0 * si.g / si.mol, 0.00]},\n",
213+
" # density, ions in soln (1), molecular weight, kappa (1), ABIFM_m, ABIFM_c\n",
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" {\"SO4\": [1760 * si.kg / si.m**3, 1, 96.0 * si.g / si.mol, 0,0,0]},\n",
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" {\"NO3\": [1800 * si.kg / si.m**3, 1, 62.0 * si.g / si.mol, 0,0,0]},\n",
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" {\"Cl\": [2200 * si.kg / si.m**3, 1, 35.5 * si.g / si.mol, 0,0,0]},\n",
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" {\"NH4\": [1760 * si.kg / si.m**3, 1, 18.0 * si.g / si.mol, 0,0,0]},\n",
218+
" {\"MSA\": [1800 * si.kg / si.m**3, 0, 95.0 * si.g / si.mol, 0.53,0,0]},\n",
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" {\"ARO1\": [1400 * si.kg / si.m**3, 0, 150.0 * si.g / si.mol, 0.10,0,0]},\n",
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" {\"ARO2\": [1400 * si.kg / si.m**3, 0, 150.0 * si.g / si.mol, 0.10,0,0]},\n",
221+
" {\"ALK1\": [1400 * si.kg / si.m**3, 0, 140.0 * si.g / si.mol, 0.10,0,0]},\n",
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" {\"OLE1\": [1400 * si.kg / si.m**3, 0, 140.0 * si.g / si.mol, 0.10,0,0]},\n",
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" {\"API1\": [1400 * si.kg / si.m**3, 0, 184.0 * si.g / si.mol, 0.10,0,0]},\n",
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" {\"API2\": [1400 * si.kg / si.m**3, 0, 184.0 * si.g / si.mol, 0.10,0,0]},\n",
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" {\"LIM1\": [1400 * si.kg / si.m**3, 0, 200.0 * si.g / si.mol, 0.10,0,0]},\n",
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" {\"LIM2\": [1400 * si.kg / si.m**3, 0, 200.0 * si.g / si.mol, 0.10,0,0]},\n",
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" {\"CO3\": [2600 * si.kg / si.m**3, 1, 60.0 * si.g / si.mol, 0,0,0]},\n",
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" {\"Na\": [2200 * si.kg / si.m**3, 1, 23.0 * si.g / si.mol, 0,0,0]},\n",
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" {\"Ca\": [2600 * si.kg / si.m**3, 1, 40.0 * si.g / si.mol, 0,0,0]},\n",
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" {\"OIN\": [2600 * si.kg / si.m**3, 0, 1.0 * si.g / si.mol, 0.10,0,0]},\n",
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" {\"OC\": [1566 * si.kg / si.m**3, 0, 1.0 * si.g / si.mol, 0.001,0,0]},\n",
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" {\"BC\": [1700 * si.kg / si.m**3, 0, 1.0 * si.g / si.mol, 0,0,0]},\n",
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" {\"H2O\": [1000 * si.kg / si.m**3, 0, 18.0 * si.g / si.mol, 0,0,0]},\n",
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" )\n",
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")\n",
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"\n",

‎examples/cloud_parcel.ipynb‎

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"outputs": [],
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"source": [
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"aero_data = ppmc.AeroData((\n",
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" # density ions in soln (1) molecular weight kappa (1)\n",
107-
" # \\ \\ / |\n",
108-
" {\"SO4\": [1800 * si.kg / si.m**3, 1, 96.0 * si.g / si.mol, 0.00]},\n",
109-
" {\"NO3\": [1800 * si.kg / si.m**3, 1, 62.0 * si.g / si.mol, 0.00]},\n",
110-
" {\"Cl\": [2200 * si.kg / si.m**3, 1, 35.5 * si.g / si.mol, 0.00]},\n",
111-
" {\"NH4\": [1800 * si.kg / si.m**3, 1, 18.0 * si.g / si.mol, 0.00]},\n",
106+
" # density, ions in soln (1), molecular weight, kappa (1), ABIFM_m, ABIFM_c\n",
107+
" {\"SO4\": [1800 * si.kg / si.m**3, 1, 96.0 * si.g / si.mol, 0,0,0]},\n",
108+
" {\"NO3\": [1800 * si.kg / si.m**3, 1, 62.0 * si.g / si.mol, 0,0,0]},\n",
109+
" {\"Cl\": [2200 * si.kg / si.m**3, 1, 35.5 * si.g / si.mol, 0,0,0]},\n",
110+
" {\"NH4\": [1800 * si.kg / si.m**3, 1, 18.0 * si.g / si.mol, 0,0,0]},\n",
112111
" {\"MSA\": [1800 * si.kg / si.m**3, 0, 95.0 * si.g / si.mol, 0.53]},\n",
113-
" {\"ARO1\": [1400 * si.kg / si.m**3, 0, 150.0 * si.g / si.mol, 0.10]},\n",
114-
" {\"ARO2\": [1400 * si.kg / si.m**3, 0, 150.0 * si.g / si.mol, 0.10]},\n",
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" {\"ALK1\": [1400 * si.kg / si.m**3, 0, 140.0 * si.g / si.mol, 0.10]},\n",
116-
" {\"OLE1\": [1400 * si.kg / si.m**3, 0, 140.0 * si.g / si.mol, 0.10]},\n",
117-
" {\"API1\": [1400 * si.kg / si.m**3, 0, 184.0 * si.g / si.mol, 0.10]},\n",
118-
" {\"API2\": [1400 * si.kg / si.m**3, 0, 184.0 * si.g / si.mol, 0.10]},\n",
119-
" {\"LIM1\": [1400 * si.kg / si.m**3, 0, 200.0 * si.g / si.mol, 0.10]},\n",
120-
" {\"LIM2\": [1400 * si.kg / si.m**3, 0, 200.0 * si.g / si.mol, 0.10]},\n",
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" {\"CO3\": [2600 * si.kg / si.m**3, 1, 60.0 * si.g / si.mol, 0.00]},\n",
122-
" {\"Na\": [2200 * si.kg / si.m**3, 1, 23.0 * si.g / si.mol, 0.00]},\n",
123-
" {\"Ca\": [2600 * si.kg / si.m**3, 1, 40.0 * si.g / si.mol, 0.00]},\n",
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" {\"OIN\": [2600 * si.kg / si.m**3, 0, 1.0 * si.g / si.mol, 0.10]},\n",
125-
" {\"OC\": [1400 * si.kg / si.m**3, 0, 1.0 * si.g / si.mol, 0.10]},\n",
126-
" {\"BC\": [1800 * si.kg / si.m**3, 0, 1.0 * si.g / si.mol, 0.00]},\n",
127-
" {\"H2O\": [1000 * si.kg / si.m**3, 0, 18.0 * si.g / si.mol, 0.00]},\n",
112+
" {\"ARO1\": [1400 * si.kg / si.m**3, 0, 150.0 * si.g / si.mol, 0.1,0,0]},\n",
113+
" {\"ARO2\": [1400 * si.kg / si.m**3, 0, 150.0 * si.g / si.mol, 0.1,0,0]},\n",
114+
" {\"ALK1\": [1400 * si.kg / si.m**3, 0, 140.0 * si.g / si.mol, 0.1,0,0]},\n",
115+
" {\"OLE1\": [1400 * si.kg / si.m**3, 0, 140.0 * si.g / si.mol, 0.1,0,0]},\n",
116+
" {\"API1\": [1400 * si.kg / si.m**3, 0, 184.0 * si.g / si.mol, 0.1,0,0]},\n",
117+
" {\"API2\": [1400 * si.kg / si.m**3, 0, 184.0 * si.g / si.mol, 0.1,0,0]},\n",
118+
" {\"LIM1\": [1400 * si.kg / si.m**3, 0, 200.0 * si.g / si.mol, 0.1,0,0]},\n",
119+
" {\"LIM2\": [1400 * si.kg / si.m**3, 0, 200.0 * si.g / si.mol, 0.1,0,0]},\n",
120+
" {\"CO3\": [2600 * si.kg / si.m**3, 1, 60.0 * si.g / si.mol, 0,0,0]},\n",
121+
" {\"Na\": [2200 * si.kg / si.m**3, 1, 23.0 * si.g / si.mol, 0,0,0]},\n",
122+
" {\"Ca\": [2600 * si.kg / si.m**3, 1, 40.0 * si.g / si.mol, 0,0,0]},\n",
123+
" {\"OIN\": [2600 * si.kg / si.m**3, 0, 1.0 * si.g / si.mol, 0.1,0,0]},\n",
124+
" {\"OC\": [1400 * si.kg / si.m**3, 0, 1.0 * si.g / si.mol, 0.1,0,0]},\n",
125+
" {\"BC\": [1800 * si.kg / si.m**3, 0, 1.0 * si.g / si.mol, 0,0,0]},\n",
126+
" {\"H2O\": [1000 * si.kg / si.m**3, 0, 18.0 * si.g / si.mol, 0,0,0]},\n",
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"))"
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]
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},

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