paddle 1.1.0__tar.gz → 1.1.1__tar.gz

{paddle-1.1.0 → paddle-1.1.1}/PKG-INFO

@@ -1,12 +1,13 @@
 Metadata-Version: 2.4
 Name: paddle
-Version: 1.1.0
+Version: 1.1.1
 Summary: Canoe's utility subroutines
 Project-URL: Homepage, https://github.com/chengcli/paddle
 Project-URL: Repository, https://github.com/chengcli/paddle
 Project-URL: Issues, https://github.com/chengcli/paddle/issues
 Author-email: Cheng Li <chengcli@umich.edu>
 Classifier: Development Status :: 3 - Alpha
+Classifier: Intended Audience :: Developers
 Classifier: Intended Audience :: Science/Research
 Classifier: Programming Language :: Python
 Classifier: Programming Language :: Python :: 3

{paddle-1.1.0 → paddle-1.1.1}/pyproject.toml

@@ -1,11 +1,10 @@
 [build-system]
 requires = ["hatchling>=1.25"]
 build-backend = "hatchling.build"
-#build-backend = "setuptools.build_meta"
 
 [project]
 name = "paddle"
-version = "1.1.0"
+version = "1.1.1"
 description = "Canoe's utility subroutines"
 readme = "README.md"
 requires-python = ">=3.9"
@@ -13,6 +12,7 @@ authors = [{ name = "Cheng Li", email = "chengcli@umich.edu" }]
 keywords = []
 classifiers = [
   "Development Status :: 3 - Alpha",
+  "Intended Audience :: Developers",
   "Intended Audience :: Science/Research",
   "Programming Language :: Python",
   "Programming Language :: Python :: 3",

paddle-1.1.1/src/paddle/__init__.py

@@ -0,0 +1,10 @@
+from .setup_profile import setup_profile
+from .write_profile import write_profile
+from .find_init_params import find_init_params
+from .evolve_kinetics import evolve_kinetics
+
+__all__ = ["setup_profile",
+           "write_profile",
+           "find_init_params",
+           "evolve_kinetics"]
+__version__ = "1.1.1"

{paddle-1.1.0 → paddle-1.1.1}/src/paddle/evolve_kinetics.py

@@ -6,7 +6,8 @@ def evolve_kinetics(
     hydro_w: torch.Tensor,
     block: snapy.MeshBlock, 
     kinet: kintera.Kinetics, 
-    thermo_x: kintera.ThermoX) -> torch.Tensor:
+    thermo_x: kintera.ThermoX,
+    dt) -> torch.Tensor:
     """
     Evolve the chemical kinetics for one time step using implicit method.
 
@@ -15,26 +16,27 @@ def evolve_kinetics(
         block (snapy.MeshBlock): The mesh block containing the simulation data.
         kinet (kintera.Kinetics): The kinetics module for chemical reactions.
         thermo_x (kintera.ThermoX): The thermodynamics module for computing properties.
+        dt (float): The time step for evolution.
 
     Returns:
         torch.Tensor: The change in mass density due to chemical reactions.
     """
-    eos = block.module("hydro.eos")
-    thermo_y = eos.named_modules()["thermo"]
+    eos = block.hydro.get_eos()
+    thermo_y = block.module("hydro.eos.thermo")
 
-    temp = eos.compute("W->T", (w,))
-    pres = w[index.ipr]
-    xfrac = thermo_y.compute("Y->X", (w[ICY:],))
+    temp = eos.compute("W->T", (hydro_w,))
+    pres = hydro_w[snapy.index.ipr]
+    xfrac = thermo_y.compute("Y->X", (hydro_w[snapy.index.icy:],))
     conc = thermo_x.compute("TPX->V", (temp, pres, xfrac))
     cp_vol = thermo_x.compute("TV->cp", (temp, conc))
 
     conc_kinet = kinet.options.narrow_copy(conc, thermo_y.options)
-    rate, rc_ddC, rc_ddT = kinet.forward(temp, pres, conc_kinet)
+    rate, rc_ddC, rc_ddT = kinet.forward_nogil(temp, pres, conc_kinet)
     jac = kinet.jacobian(temp, conc_kinet, cp_vol, rate, rc_ddC, rc_ddT)
 
     stoich = kinet.buffer("stoich")
     del_conc = kintera.evolve_implicit(rate, stoich, jac, dt)
 
     inv_mu = thermo_y.buffer("inv_mu")
-    del_rho = del_conc / inv_mu[1:].view((1, 1, 1, -1))
-    return del_rho.permute((3, 0, 1, 2))
+    del_rho = del_conc / inv_mu[1:].view(1, 1, 1, -1)
+    return del_rho.permute(3, 0, 1, 2)

{paddle-1.1.0 → paddle-1.1.1}/src/paddle/setup_profile.py

@@ -277,7 +277,4 @@ def setup_profile(
         w[snapy.index.ipr, ..., i] = pres
         w[snapy.index.idn, ..., i] = thermo_x.compute("V->D", [conc])
         w[snapy.index.icy:, ..., i] = thermo_x.compute("X->Y", [xfrac])
-
-    # initialize hydro state
-    block.initialize({"hydro_w": w})
     return w

paddle-1.1.0/src/paddle/__init__.py

@@ -1,6 +0,0 @@
-from .setup_profile import setup_profile
-from .write_profile import write_profile
-from .find_init_params import find_init_params
-
-__all__ = ["setup_profile", "write_profile", "find_init_params"]
-__version__ = "1.1.0"