Mie rect lattice script updates

Former-commit-id: 5ba256ee2f1489ce3bbbcfa9ee7da241bf2bff68

misc/201903_finiterectlat_AaroBEC_Mie.py

@@ -7,6 +7,8 @@ import os
 import sys
 nm = 1e-9
 
+rewrite_output = '--rewrite-output' in sys.argv
+
 cyr_part_height = 50*nm
 cyr_part_radius = 50*nm
 cyr_part_volume = cyr_part_height * np.pi * cyr_part_radius**2
@@ -52,11 +54,18 @@ k = n * omega / c
 
 
 for iri in range(ss.nirreps):
+    destpath = os.path.join(outputdatadir, 'Nx%d_Ny%d_%geV_ir%d.npz'%(Nx, Ny, omega/eV*hbar, iri))
+    if os.path.isfile(destpath) and not rewrite_output:
+      print(destpath, 'already exists, skipping')
+      continue
     mm_iri = ss.modeproblem_matrix_packed(k, iri)
     U, S, Vh = np.linalg.svd(mm_iri)
+    del U
     print(iri, ss.irrep_names[iri], S[-1])
     starti = max(0,len(S) - np.searchsorted(S[::-1], sv_threshold, side='left')-1)
-    np.savez(os.path.join(outputdatadir, 'Nx%d_Ny%d_%geV_ir%d.npz'%(Nx, Ny, omega/eV*hbar, iri)),
+    np.savez(destpath,
         S=S[starti:], omega=omega, Vh = Vh[starti:], iri=iri, Nx = Nx, Ny= Ny )
+    del S
+    del Vh
     # Don't forget to conjugate Vh before transforming it to the full vector!
 

misc/201903_finiterectlat_AaroBEC_fatMie.py

@@ -0,0 +1,74 @@
+#!/usr/bin/env python3
+# coding: utf-8
+from qpms import Particle, CTMatrix, BaseSpec, FinitePointGroup, ScatteringSystem, TMatrixInterpolator, eV, hbar, c, MaterialInterpolator
+from qpms.symmetries import point_group_info
+import numpy as np
+import os
+import sys
+nm = 1e-9
+
+rewrite_output = '--rewrite-output' in sys.argv
+
+radiusfactor = float(sys.argv[5])
+
+cyr_part_height = 50*nm
+cyr_part_radius = 50*nm
+cyr_part_volume = cyr_part_height * np.pi * cyr_part_radius**2
+eqv_sph_radius = (3/4/np.pi*cyr_part_volume)**(1/3) * radiusfactor
+
+sym = FinitePointGroup(point_group_info['D2h'])
+bspec = BaseSpec(lMax = 2)
+#tmfile = '/m/phys/project/qd/Marek/tmatrix-experiments/Cylinder/AaroBEC/cylinder_50nm_lMax4_cleaned.TMatrix'
+materialfile = '/home/necadam1/wrkdir/repo/refractiveindex.info-database/database/data/main/Au/Johnson.yml'
+
+#outputdatadir = '/home/necadam1/wrkdir/AaroBECfinite_new'
+#outputdatadir = '/u/46/necadam1/unix/project/AaroBECfinite_sph'
+outputdatadir = '/home/necadam1/wrkdir/AaroBECfinite_fatsph'
+os.makedirs(outputdatadir, exist_ok = True)
+mi = MaterialInterpolator(materialfile)
+#interp = TMatrixInterpolator(tmfile, bspec, symmetrise = sym, atol = 1e-8)
+# There is only one t-matrix in the system for each frequency. We initialize the matrix with the lowest frequency data.
+# Later, we can replace it using the tmatrix[...] = interp(freq) and s.update_tmatrices NOT YET; TODO
+
+omega = float(sys.argv[3]) * eV/hbar
+sv_threshold = float(sys.argv[4])
+
+
+# Now place the particles and set background index.
+px = 571*nm; py = 621*nm
+n = 1.52
+Nx = int(sys.argv[1])
+Ny = int(sys.argv[2])
+
+orig_x = (np.arange(Nx/2) + (0 if (Nx % 2) else .5)) * px
+orig_y = (np.arange(Ny/2) + (0 if (Ny % 2) else .5)) * py
+
+orig_xy = np.stack(np.meshgrid(orig_x, orig_y), axis = -1)
+
+#tmatrix = interp(omega)
+tmatrix = CTMatrix.spherical_perm(bspec, eqv_sph_radius, omega, mi(omega), n**2)
+particles = [Particle(orig_xy[i], tmatrix) for i in np.ndindex(orig_xy.shape[:-1])]
+
+
+ss = ScatteringSystem(particles, sym)
+
+
+k = n * omega / c
+
+
+for iri in range(ss.nirreps):
+    destpath = os.path.join(outputdatadir, 'Nx%d_Ny%d_%geV_ir%d_r%gnm.npz'%(Nx, Ny, omega/eV*hbar, iri, eqv_sph_radius/nm))
+    if os.path.isfile(destpath) and not rewrite_output:
+      print(destpath, 'already exists, skipping')
+      continue
+    mm_iri = ss.modeproblem_matrix_packed(k, iri)
+    U, S, Vh = np.linalg.svd(mm_iri)
+    del U
+    print(iri, ss.irrep_names[iri], S[-1])
+    starti = max(0,len(S) - np.searchsorted(S[::-1], sv_threshold, side='left')-1)
+    np.savez(destpath,
+        S=S[starti:], omega=omega, Vh = Vh[starti:], iri=iri, Nx = Nx, Ny= Ny )
+    del S
+    del Vh
+    # Don't forget to conjugate Vh before transforming it to the full vector!
+