freepaths 2.0__tar.gz → 2.0.1__tar.gz

{freepaths-2.0 → freepaths-2.0.1}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: freepaths
-Version: 2.0
+Version: 2.0.1
 Summary: Phonon Monte Carlo simulator
 Home-page: https://github.com/anufrievroman/freepaths
 Author: Roman Anufriev
@@ -11,12 +11,12 @@ Classifier: License :: OSI Approved :: GNU General Public License (GPL)
 Classifier: Environment :: Console
 Classifier: Natural Language :: English
 Classifier: Operating System :: OS Independent
-Classifier: Programming Language :: Python :: 3.7
-Classifier: Programming Language :: Python :: 3.8
 Classifier: Programming Language :: Python :: 3.9
 Classifier: Programming Language :: Python :: 3.10
+Classifier: Programming Language :: Python :: 3.11
+Classifier: Programming Language :: Python :: 3.12
 Classifier: Topic :: Utilities
-Requires-Python: ~=3.8
+Requires-Python: ~=3.11
 Description-Content-Type: text/markdown
 Requires-Dist: numpy
 Requires-Dist: matplotlib

{freepaths-2.0 → freepaths-2.0.1}/freepaths/__main__.py

@@ -7,7 +7,7 @@ from colorama import Fore, Style
 import freepaths.main_tracing
 import freepaths.main_mfp_sampling
 
-__version__ = "2.0"
+__version__ = "2.0.1"
 
 colorama.init()
 

{freepaths-2.0 → freepaths-2.0.1}/freepaths/holes.py

@@ -75,23 +75,31 @@ class CircularHole(Hole):
 class RectangularHole(Hole):
     """Shape of a rectangular hole"""
 
-    def __init__(self, x=0, y=0, size_x=100e-9, size_y=100e-9):
+    def __init__(self, x=0, y=0, size_x=100e-9, size_y=100e-9, depth=None):
         self.x0 = x
         self.y0 = y
         self.size_x = size_x
         self.size_y = size_y
+        self.depth = depth
 
     def is_inside(self, x, y, z, cf):
-        """Check if phonon with given coordinates traverses the boundary"""
-        return (abs(x - self.x0) <= self.size_x / 2) and (abs(y - self.y0) <= self.size_y / 2)
+        """Check if phonon with given coordinates traverses the boundary. It also depens on in the hole is complete or partial."""
+        if self.depth and z:
+            return (abs(x - self.x0) <= self.size_x / 2) and (abs(y - self.y0) <= self.size_y / 2) and (z > cf.thickness/2 - self.depth)
+        else:
+            return (abs(x - self.x0) <= self.size_x / 2) and (abs(y - self.y0) <= self.size_y / 2)
+
 
     def scatter(self, ph, scattering_types, x, y, z, cf):
         """Calculate the new direction after scattering on the hole"""
 
-        # Coordinate y of the intersection with the hole side:
-        y1 = (self.y0 - y) + cos(ph.theta) * (
-            self.size_x / 2 - abs(self.x0 - x)
-        ) / abs(sin(ph.theta))
+        # If phonon arrives from below, then it's bottom scattering:
+        if self.depth and ph.z < (cf.thickness/2 - self.depth):
+            scattering_types.holes = in_plane_surface_scattering(ph, cf.top_roughness)
+            return
+
+        # Otherwise, calculate coordinate y of the intersection with the hole side:
+        y1 = (self.y0 - y) + cos(ph.theta) * (self.size_x / 2 - abs(self.x0 - x)) / abs(sin(ph.theta))
 
         # Scattering on the left wall:
         if abs(y1) <= self.size_y / 2 and x < self.x0:

{freepaths-2.0 → freepaths-2.0.1}/freepaths/main_mfp_sampling.py

@@ -15,7 +15,7 @@ from freepaths.config import cf
 from freepaths.run_phonon import run_phonon
 from freepaths.phonon import Phonon
 from freepaths.flight import Flight
-from freepaths.data import ScatteringData, GeneralData, SegmentData, PathData
+from freepaths.data import ScatteringData, GeneralData, SegmentData, PathData, TriangleScatteringData
 from freepaths.progress import Progress
 from freepaths.materials import Si, SiC, Graphite
 from freepaths.maps import ScatteringMap, ThermalMaps
@@ -45,6 +45,7 @@ def main(input_file):
     scatter_stats = ScatteringData()
     general_stats = GeneralData()
     segment_stats = SegmentData()
+    places_stats = TriangleScatteringData()
     path_stats = PathData()
     scatter_maps = ScatteringMap()
     thermal_maps = ThermalMaps()
@@ -67,7 +68,7 @@ def main(input_file):
             flight = Flight(phonon)
 
             # Run this phonon through the structure:
-            run_phonon(phonon, flight, scatter_stats, segment_stats, thermal_maps, scatter_maps, material)
+            run_phonon(phonon, flight, scatter_stats, places_stats, segment_stats, thermal_maps, scatter_maps, material)
 
             # Heat capacity, Ref. PRB 88 155318 (2013):
             omega = 2 * math.pi * phonon.f

{freepaths-2.0 → freepaths-2.0.1}/freepaths.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: freepaths
-Version: 2.0
+Version: 2.0.1
 Summary: Phonon Monte Carlo simulator
 Home-page: https://github.com/anufrievroman/freepaths
 Author: Roman Anufriev
@@ -11,12 +11,12 @@ Classifier: License :: OSI Approved :: GNU General Public License (GPL)
 Classifier: Environment :: Console
 Classifier: Natural Language :: English
 Classifier: Operating System :: OS Independent
-Classifier: Programming Language :: Python :: 3.7
-Classifier: Programming Language :: Python :: 3.8
 Classifier: Programming Language :: Python :: 3.9
 Classifier: Programming Language :: Python :: 3.10
+Classifier: Programming Language :: Python :: 3.11
+Classifier: Programming Language :: Python :: 3.12
 Classifier: Topic :: Utilities
-Requires-Python: ~=3.8
+Requires-Python: ~=3.11
 Description-Content-Type: text/markdown
 Requires-Dist: numpy
 Requires-Dist: matplotlib

{freepaths-2.0 → freepaths-2.0.1}/setup.py

@@ -25,17 +25,17 @@ setuptools.setup(
     },
     install_requires=['numpy', 'matplotlib', 'scipy', 'imageio', 'colorama'],
     version=version,
-    python_requires='~=3.8',
+    python_requires='~=3.11',
     classifiers=[
         "Development Status :: 4 - Beta",
         "License :: OSI Approved :: GNU General Public License (GPL)",
         "Environment :: Console",
         "Natural Language :: English",
         "Operating System :: OS Independent",
-        "Programming Language :: Python :: 3.7",
-        "Programming Language :: Python :: 3.8",
         "Programming Language :: Python :: 3.9",
         "Programming Language :: Python :: 3.10",
+        "Programming Language :: Python :: 3.11",
+        "Programming Language :: Python :: 3.12",
         "Topic :: Utilities",
     ],
     packages=["freepaths"],