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Backport features from Mie-based AaroBEC script to the original scuff-based one. 

Former-commit-id: 27c255d5b35d75d6cd120218a237a30d28ba350c
This commit is contained in:
Marek Nečada 2019-06-19 11:57:03 +03:00
parent f05d164585
commit d8ebbd1f0a
1 changed files with 22 additions and 7 deletions
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29
misc/201903_finiterectlat_AaroBEC.py
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@ -1,15 +1,21 @@
#!/usr/bin/env python #!/usr/bin/env python
# coding: utf-8 # coding: utf-8
from qpms import Particle, CTMatrix, BaseSpec, FinitePointGroup, ScatteringSystem, TMatrixInterpolator, eV, hbar, c from qpms import Particle, CTMatrix, BaseSpec, FinitePointGroup, ScatteringSystem, TMatrixInterpolator, eV, hbar, c, MaterialInterpolator, scatsystem_set_nthreads
from qpms.symmetries import point_group_info from qpms.symmetries import point_group_info
import numpy as np import numpy as np
import os import os
import sys import sys
from pathlib import Path
if 'SLURM_CPUS_PER_TASK' in os.environ:
scatsystem_set_nthreads(int(os.environ['SLURM_CPUS_PER_TASK']))
nm = 1e-9 nm = 1e-9
rewrite_output = '--rewrite-output' in sys.argv
sym = FinitePointGroup(point_group_info['D2h']) sym = FinitePointGroup(point_group_info['D2h'])
bspec = BaseSpec(lMax = 2) bspec = BaseSpec(lMax = 2)
tmfile = '/m/phys/project/qd/Marek/tmatrix-experiments/Cylinder/AaroBEC/cylinder_50nm_lMax4_cleaned.TMatrix' tmfile = '/m/phys/project/qd/Marek/tmatrix-experiments/Cylinder/AaroBEC/cylinder_50nm_lMax4_longer.TMatrix'
#outputdatadir = '/home/necadam1/wrkdir/AaroBECfinite_new' #outputdatadir = '/home/necadam1/wrkdir/AaroBECfinite_new'
outputdatadir = '/u/46/necadam1/unix/project/AaroBECfinite_new' outputdatadir = '/u/46/necadam1/unix/project/AaroBECfinite_new'
os.makedirs(outputdatadir, exist_ok = True) os.makedirs(outputdatadir, exist_ok = True)
@ -22,7 +28,7 @@ sv_threshold = float(sys.argv[4])
# Now place the particles and set background index. # Now place the particles and set background index.
px = 571*nm; py = 621*nm px = 571*nm; py = 621*nm
n = 1.51 n = 1.52
Nx = int(sys.argv[1]) Nx = int(sys.argv[1])
Ny = int(sys.argv[2]) Ny = int(sys.argv[2])
@ -32,21 +38,30 @@ 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) orig_xy = np.stack(np.meshgrid(orig_x, orig_y), axis = -1)
tmatrix = interp(omega) tmatrix = interp(omega)
particles = [Particle(orig_xy[i], tmatrix) for i in np.ndindex(orig_xy.shape[:-1])] print(tmatrix.m)
particles = [Particle(orig_xy[i], tmatrix) for i in np.ndindex(orig_xy.shape[:-1])]
ss = ScatteringSystem(particles, sym) ss = ScatteringSystem(particles, sym)
k = n * omega / c k = n * omega / c
for iri in range(ss.nirreps): 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,))
touchpath = os.path.join(outputdatadir, 'Nx%d_Ny%d_%geV_ir%d.done'%(Nx, Ny, omega/eV*hbar, iri,))
if (os.path.isfile(destpath) or os.path.isfile(touchpath)) and not rewrite_output:
print(destpath, 'already exists, skipping')
continue
mm_iri = ss.modeproblem_matrix_packed(k, iri) mm_iri = ss.modeproblem_matrix_packed(k, iri)
print(mm_iri)
U, S, Vh = np.linalg.svd(mm_iri) U, S, Vh = np.linalg.svd(mm_iri)
del U
print(iri, ss.irrep_names[iri], S[-1]) print(iri, ss.irrep_names[iri], S[-1])
starti = max(0,len(S) - np.searchsorted(S[::-1], sv_threshold, side='left')-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 ) S=S[starti:], omega=omega, Vh = Vh[starti:], iri=iri, Nx = Nx, Ny= Ny )
del S
del Vh
Path(touchpath).touch()
# Don't forget to conjugate Vh before transforming it to the full vector! # Don't forget to conjugate Vh before transforming it to the full vector!