treams - npm Package Compare versions

Comparing version 0.4.0 to 0.4.1

docs/about.rst

@@ -15,4 +15,5 @@ =====
 
-1. `D. Beutel, I. Fernandez-Corbaton, and C. Rockstuhl, Unified Lattice Sums Accommodating Multiple Sublattices for Solutions of the Helmholtz Equation in Two and Three Dimensions, Phys. Rev. A 107, 013508 (2023). <https://doi.org/10.1103/PhysRevA.107.013508>`_
-2. `D. Beutel, P. Scott, M. Wegener, C. Rockstuhl, and I. Fernandez-Corbaton, Enhancing the Optical Rotation of Chiral Molecules Using Helicity Preserving All-Dielectric Metasurfaces, Appl. Phys. Lett. 118, 221108 (2021). <https://doi.org/10.1063/5.0050411>`_
-3. `D. Beutel, A. Groner, C. Rockstuhl, C. Rockstuhl, and I. Fernandez-Corbaton, Efficient Simulation of Biperiodic, Layered Structures Based on the T-Matrix Method, J. Opt. Soc. Am. B, JOSAB 38, 1782 (2021). <https://doi.org/10.1364/JOSAB.419645>`_
+1. `D. Beutel, I. Fernandez-Corbaton, and C. Rockstuhl, treams -- A T-matrix scattering code for nanophotonic computations, arXiv (preprint), 2309.03182 (2023). <https://doi.org/10.48550/arXiv.2309.03182>`_
+2. `D. Beutel, I. Fernandez-Corbaton, and C. Rockstuhl, Unified Lattice Sums Accommodating Multiple Sublattices for Solutions of the Helmholtz Equation in Two and Three Dimensions, Phys. Rev. A 107, 013508 (2023). <https://doi.org/10.1103/PhysRevA.107.013508>`_
+3. `D. Beutel, P. Scott, M. Wegener, C. Rockstuhl, and I. Fernandez-Corbaton, Enhancing the Optical Rotation of Chiral Molecules Using Helicity Preserving All-Dielectric Metasurfaces, Appl. Phys. Lett. 118, 221108 (2021). <https://doi.org/10.1063/5.0050411>`_
+4. `D. Beutel, A. Groner, C. Rockstuhl, C. Rockstuhl, and I. Fernandez-Corbaton, Efficient Simulation of Biperiodic, Layered Structures Based on the T-Matrix Method, J. Opt. Soc. Am. B, JOSAB 38, 1782 (2021). <https://doi.org/10.1364/JOSAB.419645>`_

docs/gettingstarted.rst

@@ -12,3 +12,3 @@ .. highlight:: console
 
-   pip install git+https://github.com/tfp-photonics/treams.git
+   pip install treams
 
@@ -15,0 +15,0 @@

PKG-INFO

 Metadata-Version: 2.1
 Name: treams
-Version: 0.4.0
+Version: 0.4.1
 Summary: "T-matrix scattering code for nanophotonic computations"
@@ -31,7 +31,15 @@ Home-page: https://github.com/tfp-photonics/treams
 Description-Content-Type: text/markdown
+License-File: LICENSE
+Requires-Dist: numpy
+Requires-Dist: scipy>=1.6
 Provides-Extra: coverage
+Requires-Dist: Cython; extra == "coverage"
+Requires-Dist: pytest-cov; extra == "coverage"
 Provides-Extra: docs
+Requires-Dist: matplotlib; extra == "docs"
+Requires-Dist: sphinx; extra == "docs"
 Provides-Extra: io
+Requires-Dist: h5py; extra == "io"
 Provides-Extra: test
-License-File: LICENSE
+Requires-Dist: pytest; extra == "test"
 
@@ -74,3 +82,3 @@ ![Version](https://img.shields.io/github/v/tag/tfp-photonics/treams)
 
-[D. Beutel, A. Groner, C. Rockstuhl, C. Rockstuhl, and I. Fernandez-Corbaton, Efficient Simulation of Biperiodic, Layered Structures Based on the T-Matrix Method, J. Opt. Soc. Am. B, JOSAB 38, 1782 (2021).](https://doi.org/10.1364/JOSAB.419645)
+[D. Beutel, I. Fernandez-Corbaton, and C. Rockstuhl, treams - A T-matrix scattering code for nanophotonic computations, arXiv (preprint), 2309.03182 (2023).](https://doi.org/10.48550/arXiv.2309.03182)
 
@@ -80,2 +88,3 @@ Other relevant publications are
 * [D. Beutel, P. Scott, M. Wegener, C. Rockstuhl, and I. Fernandez-Corbaton, Enhancing the Optical Rotation of Chiral Molecules Using Helicity Preserving All-Dielectric Metasurfaces, Appl. Phys. Lett. 118, 221108 (2021).](https://doi.org/10.1063/5.0050411)
+* [D. Beutel, A. Groner, C. Rockstuhl, C. Rockstuhl, and I. Fernandez-Corbaton, Efficient Simulation of Biperiodic, Layered Structures Based on the T-Matrix Method, J. Opt. Soc. Am. B, JOSAB 38, 1782 (2021).](https://doi.org/10.1364/JOSAB.419645)
 
@@ -82,0 +91,0 @@

README.md

@@ -37,3 +37,3 @@ ![Version](https://img.shields.io/github/v/tag/tfp-photonics/treams)
 
-[D. Beutel, A. Groner, C. Rockstuhl, C. Rockstuhl, and I. Fernandez-Corbaton, Efficient Simulation of Biperiodic, Layered Structures Based on the T-Matrix Method, J. Opt. Soc. Am. B, JOSAB 38, 1782 (2021).](https://doi.org/10.1364/JOSAB.419645)
+[D. Beutel, I. Fernandez-Corbaton, and C. Rockstuhl, treams - A T-matrix scattering code for nanophotonic computations, arXiv (preprint), 2309.03182 (2023).](https://doi.org/10.48550/arXiv.2309.03182)
 
@@ -43,2 +43,3 @@ Other relevant publications are
 * [D. Beutel, P. Scott, M. Wegener, C. Rockstuhl, and I. Fernandez-Corbaton, Enhancing the Optical Rotation of Chiral Molecules Using Helicity Preserving All-Dielectric Metasurfaces, Appl. Phys. Lett. 118, 221108 (2021).](https://doi.org/10.1063/5.0050411)
+* [D. Beutel, A. Groner, C. Rockstuhl, C. Rockstuhl, and I. Fernandez-Corbaton, Efficient Simulation of Biperiodic, Layered Structures Based on the T-Matrix Method, J. Opt. Soc. Am. B, JOSAB 38, 1782 (2021).](https://doi.org/10.1364/JOSAB.419645)
 
@@ -45,0 +46,0 @@

src/treams.egg-info/PKG-INFO

 Metadata-Version: 2.1
 Name: treams
-Version: 0.4.0
+Version: 0.4.1
 Summary: "T-matrix scattering code for nanophotonic computations"
@@ -31,7 +31,15 @@ Home-page: https://github.com/tfp-photonics/treams
 Description-Content-Type: text/markdown
+License-File: LICENSE
+Requires-Dist: numpy
+Requires-Dist: scipy>=1.6
 Provides-Extra: coverage
+Requires-Dist: Cython; extra == "coverage"
+Requires-Dist: pytest-cov; extra == "coverage"
 Provides-Extra: docs
+Requires-Dist: matplotlib; extra == "docs"
+Requires-Dist: sphinx; extra == "docs"
 Provides-Extra: io
+Requires-Dist: h5py; extra == "io"
 Provides-Extra: test
-License-File: LICENSE
+Requires-Dist: pytest; extra == "test"
 
@@ -74,3 +82,3 @@ ![Version](https://img.shields.io/github/v/tag/tfp-photonics/treams)
 
-[D. Beutel, A. Groner, C. Rockstuhl, C. Rockstuhl, and I. Fernandez-Corbaton, Efficient Simulation of Biperiodic, Layered Structures Based on the T-Matrix Method, J. Opt. Soc. Am. B, JOSAB 38, 1782 (2021).](https://doi.org/10.1364/JOSAB.419645)
+[D. Beutel, I. Fernandez-Corbaton, and C. Rockstuhl, treams - A T-matrix scattering code for nanophotonic computations, arXiv (preprint), 2309.03182 (2023).](https://doi.org/10.48550/arXiv.2309.03182)
 
@@ -80,2 +88,3 @@ Other relevant publications are
 * [D. Beutel, P. Scott, M. Wegener, C. Rockstuhl, and I. Fernandez-Corbaton, Enhancing the Optical Rotation of Chiral Molecules Using Helicity Preserving All-Dielectric Metasurfaces, Appl. Phys. Lett. 118, 221108 (2021).](https://doi.org/10.1063/5.0050411)
+* [D. Beutel, A. Groner, C. Rockstuhl, C. Rockstuhl, and I. Fernandez-Corbaton, Efficient Simulation of Biperiodic, Layered Structures Based on the T-Matrix Method, J. Opt. Soc. Am. B, JOSAB 38, 1782 (2021).](https://doi.org/10.1364/JOSAB.419645)
 
@@ -82,0 +91,0 @@

src/treams/__init__.py

@@ -29,2 +29,3 @@ """TREAMS: T-Matrix scattering code for nanophotonic computations.
    SMatrix
+   SMatrices
    TMatrix
@@ -50,2 +51,3 @@ TMatrixC
    changepoltype
+   chirality_density
    dfield
@@ -57,2 +59,3 @@ efield
    permute
+   plane_wave
    rotate
@@ -59,0 +62,0 @@ translate

src/treams/_smatrix.py

@@ -176,3 +176,3 @@ import copy
     @classmethod
-    def interface(cls, basis, k0, materials):
+    def interface(cls, basis, k0, materials, poltype=None):
         """Planar interface between two media.
@@ -184,2 +184,3 @@
             materials (Sequence[Material]): Material definitions.
+            poltype (str, optional): Polarization type (:ref:`params:Polarizations`).
 
@@ -189,2 +190,3 @@ Returns:
         """
+        poltype = config.POLTYPE if poltype is None else poltype
         materials = tuple(map(Material, materials))
@@ -217,6 +219,14 @@ ks = np.array([m.ks(k0) for m in materials])
                     qs[:, :, ii, i] = vals[:, :, pol2, pol]
-        return cls(qs, k0=k0, basis=basis, material=materials[::-1], poltype="helicity")
+        res = cls(qs, k0=k0, basis=basis, material=materials[::-1], poltype="helicity")
+        if poltype == "helicity":
+            return res
+        res = res.changepoltype(poltype)
+        res[0, 0][~np.eye(len(res), dtype=bool)] = 0
+        res[0, 1][~np.eye(len(res), dtype=bool)] = 0
+        res[1, 0][~np.eye(len(res), dtype=bool)] = 0
+        res[1, 1][~np.eye(len(res), dtype=bool)] = 0
+        return res
 
     @classmethod
-    def slab(cls, thickness, basis, k0, materials):
+    def slab(cls, thickness, basis, k0, materials, poltype=None):
         """Slab of material.
@@ -235,2 +245,3 @@
                 positive z.
+            poltype (str, optional): Polarization type (:ref:`params:Polarizations`).
 
@@ -244,9 +255,10 @@ Returns:
             thickness = [thickness]
-        res = cls.interface(basis, k0, materials[:2])
+        poltype = config.POLTYPE if poltype is None else poltype
+        res = cls.interface(basis, k0, materials[:2], poltype)
         for d, ma, mb in zip(thickness, materials[1:-1], materials[2:]):
             if np.ndim(d) == 0:
                 d = [0, 0, d]
-            x = cls.propagation(d, basis, k0, ma)
+            x = cls.propagation(d, basis, k0, ma, poltype)
             res = res.add(x)
-            res = res.add(cls.interface(basis, k0, (ma, mb)))
+            res = res.add(cls.interface(basis, k0, (ma, mb), poltype))
         return res
@@ -274,3 +286,3 @@
     @classmethod
-    def propagation(cls, r, basis, k0, material=Material()):
+    def propagation(cls, r, basis, k0, material=Material(), poltype=None):
         """S-matrix for the propagation along a distance.
@@ -285,2 +297,3 @@
             material (Material, optional): Material definition.
+            poltype (str, optional): Polarization type (:ref:`params:Polarizations`).
 
@@ -290,9 +303,23 @@ Returns:
         """
-        sup = translate(r, basis=basis, k0=k0, material=material, modetype="up")
+        poltype = config.POLTYPE if poltype is None else poltype
+        sup = translate(
+            r, basis=basis, k0=k0, material=material, modetype="up", poltype=poltype
+        )
         sdown = translate(
-            np.negative(r), basis=basis, k0=k0, material=material, modetype="down"
+            np.negative(r),
+            basis=basis,
+            k0=k0,
+            material=material,
+            modetype="down",
+            poltype=poltype,
         )
         zero = np.zeros_like(sup)
         material = Material(material)
-        return cls([[sup, zero], [zero, sdown]], basis=basis, k0=k0, material=material)
+        return cls(
+            [[sup, zero], [zero, sdown]],
+            basis=basis,
+            k0=k0,
+            material=material,
+            poltype=poltype,
+        )
 
@@ -361,3 +388,3 @@ @classmethod
         for _ in range(n):
-            res = res.add(self)
+            res = res.add(res)
         return res
@@ -364,0 +391,0 @@

src/treams/_tmatrix.py

@@ -793,11 +793,19 @@ import warnings
             raise ValueError(f"invalid 'modetype': {modetype}")
-        kzs = Material(material).kzs(k0, *kpar, [0, 1])
+        kvecs = np.array(basis.kvecs(k0, material, modetype))
         poltype = config.POLTYPE if poltype is None else poltype
         if poltype == "parity":
+            kvec = kvecs[:, basis.index((kpar[0], kpar[1], 0))]
             pol = [
-                -sc.vpw_M(*kpar, kzs[0], 0, 0, 0) @ pol,
-                sc.vpw_N(*kpar, kzs[1], 0, 0, 0) @ pol,
+                -sc.vpw_M(*kvec, 0, 0, 0) @ pol,
+                sc.vpw_N(*kvec, 0, 0, 0) @ pol,
             ]
         elif poltype == "helicity":
-            pol = sc.vpw_A(*kpar, kzs[::-1], 0, 0, 0, [1, 0]) @ pol
+            kvec = kvecs[
+                :,
+                [
+                    basis.index((kpar[0], kpar[1], 1)),
+                    basis.index((kpar[0], kpar[1], 0)),
+                ],
+            ]
+            pol = sc.vpw_A(*kvec, 0, 0, 0, [1, 0]) @ pol
         else:
@@ -861,3 +869,3 @@ raise ValueError(f"invalid 'poltype': {poltype}")
         poltype (str, optional): Polarization type (see
-            :ref:`polarization:Polarizations`).
+            :ref:`params:Polarizations`).
     """
@@ -864,0 +872,0 @@ if len(kvec) == 2:

tests/integration/test_compare_direct_sum.py

@@ -43,3 +43,3 @@ import numpy as np
             la.lsumsw1d(l, k, kpar, a, r, 0),
-            np.sum(la.dsumsw1d(l, k, kpar, a, r, np.arange(1_100_000))),
+            np.sum(la.dsumsw1d(l, k, kpar, a, r, np.arange(1_300_000))),
             rel_tol=0.05,
@@ -72,3 +72,3 @@ abs_tol=EPSSQ,
             la.lsumcw1d(l, k, kpar, a, r, 0),
-            np.sum(la.dsumcw1d(l, k, kpar, a, r, np.arange(1_600_000))),
+            np.sum(la.dsumcw1d(l, k, kpar, a, r, np.arange(2_000_000))),
             rel_tol=0.05,
@@ -458,3 +458,3 @@ abs_tol=EPSSQ,
                 la.lsumsw1d_shift(*lm, k, kpar, a, r, 0),
-                la.dsumsw1d_shift(*lm, k, kpar, a, r, np.arange(2_200_000)).sum(),
+                la.dsumsw1d_shift(*lm, k, kpar, a, r, np.arange(700_000)).sum(),
                 rel_tol=1e-1,
@@ -466,3 +466,3 @@ abs_tol=EPS,
                 la.lsumsw1d_shift(*lm, k, kpar, a, r, 0),
-                la.dsumsw1d_shift(*lm, k, kpar, a, r, np.arange(800_000)).sum(),
+                la.dsumsw1d_shift(*lm, k, kpar, a, r, np.arange(1_100_000)).sum(),
                 rel_tol=1e-1,
@@ -469,0 +469,0 @@ abs_tol=EPS,

tests/unit/test_lattice_module.py

@@ -263,3 +263,3 @@ import numpy as np
             la.lsumsw2d_shift(6, 0, 2 * np.pi, [0, 0], a, [0.2, 0.2, 0.1], 0),
-            110.69823590056764 - 138.74329901305353j,
+            554145.857367349-554173.9024304616j,
         )
@@ -311,3 +311,3 @@
             la.lsumsw1d_shift(6, 0, 2 * np.pi, 0, 1, [0.2, 0.2, 0.1], 0),
-            -0.3552853450806117 - 25.183882160999745j,
+            -0.3552862673579646-24.943884092634878j,
         )
@@ -369,3 +369,3 @@
             la.lsumcw1d_shift(6, 2 * np.pi, 0, 1, [0.2, 0.1], 0),
-            -224.72932005925895 + 675.8601828886733j,
+            -1743317.7346371387+1743768.8654999665j,
             1e-5,
@@ -372,0 +372,0 @@ )

Alert delta unavailable

Currently unable to show alert delta for PyPI packages.

Improved metrics

Total package byte prevSize

16467227

0.04%

Lines of code

13003

0.31%