misc/201903_finiterectlat_AaroBEC_Mie.py

   1 #!/usr/bin/env python3
   2 # coding: utf-8
   3 from qpms import Particle, CTMatrix, BaseSpec, FinitePointGroup, ScatteringSystem, TMatrixInterpolator, eV, hbar, c, MaterialInterpolator, scatsystem_set_nthreads
   4 from qpms.symmetries import point_group_info
   5 from pathlib import Path
   6 import numpy as np
   7 import os
   8 import sys
   9 nm = 1e-9
  10
  11
  12 if 'SLURM_CPUS_PER_TASK' in os.environ:
  13         scatsystem_set_nthreads(int(os.environ['SLURM_CPUS_PER_TASK']))
  14
  15
  16 rewrite_output = '--rewrite-output' in sys.argv
  17
  18 cyr_part_height = 50*nm
  19 cyr_part_radius = 50*nm
  20 cyr_part_volume = cyr_part_height * np.pi * cyr_part_radius**2
  21 eqv_sph_radius = (3/4/np.pi*cyr_part_volume)**(1/3)
  22
  23 sym = FinitePointGroup(point_group_info['D2h'])
  24 bspec = BaseSpec(lMax = 2)
  25 #tmfile = '/m/phys/project/qd/Marek/tmatrix-experiments/Cylinder/AaroBEC/cylinder_50nm_lMax4_cleaned.TMatrix'
  26 materialfile = '/home/necadam1/wrkdir/repo/refractiveindex.info-database/database/data/main/Au/Johnson.yml'
  27
  28 #outputdatadir = '/home/necadam1/wrkdir/AaroBECfinite_new'
  29 #outputdatadir = '/u/46/necadam1/unix/project/AaroBECfinite_sph'
  30 outputdatadir = '/home/necadam1/wrkdir/AaroBECfinite_sph'
  31 os.makedirs(outputdatadir, exist_ok = True)
  32 mi = MaterialInterpolator(materialfile)
  33 #interp = TMatrixInterpolator(tmfile, bspec, symmetrise = sym, atol = 1e-8)
  34 # There is only one t-matrix in the system for each frequency. We initialize the matrix with the lowest frequency data.
  35 # Later, we can replace it using the tmatrix[...] = interp(freq) and s.update_tmatrices NOT YET; TODO
  36
  37 omega = float(sys.argv[3]) * eV/hbar
  38 sv_threshold = float(sys.argv[4])
  39
  40 # Now place the particles and set background index.
  41 px = 571*nm; py = 621*nm
  42 n = 1.52
  43 Nx = int(sys.argv[1])
  44 Ny = int(sys.argv[2])
  45
  46 orig_x = (np.arange(Nx/2) + (0 if (Nx % 2) else .5)) * px
  47 orig_y = (np.arange(Ny/2) + (0 if (Ny % 2) else .5)) * py
  48
  49 orig_xy = np.stack(np.meshgrid(orig_x, orig_y), axis = -1)
  50
  51 #tmatrix = interp(omega)
  52 tmatrix = CTMatrix.spherical_perm(bspec, eqv_sph_radius, omega, mi(omega), n**2)
  53 particles = [Particle(orig_xy[i], tmatrix) for i in np.ndindex(orig_xy.shape[:-1])]
  54
  55
  56 ss = ScatteringSystem(particles, sym)
  57
  58
  59 k = n * omega / c
  60
  61
  62 for iri in range(ss.nirreps):
  63     destpath = os.path.join(outputdatadir, 'Nx%d_Ny%d_%geV_ir%d.npz'%(Nx, Ny, omega/eV*hbar, iri))
  64     touchpath = os.path.join(outputdatadir, 'Nx%d_Ny%d_%geV_ir%d.done'%(Nx, Ny, omega/eV*hbar, iri))
  65     if (os.path.isfile(destpath) or os.path.isfile(touchpath)) and not rewrite_output:
  66       print(destpath, 'already exists, skipping')
  67       continue
  68     mm_iri = ss.modeproblem_matrix_packed(k, iri)
  69     U, S, Vh = np.linalg.svd(mm_iri)
  70     del U
  71     print(iri, ss.irrep_names[iri], S[-1])
  72     starti = max(0,len(S) - np.searchsorted(S[::-1], sv_threshold, side='left')-1)
  73     np.savez(destpath,
  74         S=S[starti:], omega=omega, Vh = Vh[starti:], iri=iri, Nx = Nx, Ny= Ny )
  75     del S
  76     del Vh
  77     Path(touchpath).touch()
  78     # Don't forget to conjugate Vh before transforming it to the full vector!
  79