This module consists of a mix of high-level, core, low-level and
supplementary routines for solving a multiple scattering problem using
the T-matrix formalism. We list below the subroutines of the
multiscat module with a brief explanation. A list of common
arguments and their brief description is at the end of this section. The
other arguments are explained after each subroutine.
mapNF(ncut, wavelen, inc,ehost, geometry, scheme, tfiles_, escat_, nselect_, verb_, noRTR_, dump_oaE2, dump_oaB2, field, Bfield, N_OC, orAvextEB_int, oa_ldoc, p_label)
Calculates the electric and magnetic near fields, and normalised optical
chirality (\(\overline{\mathscr{C}}\))
for a multiple scattering problem, for different incidence directions
and wavelengths, as well as the orientation-averaged value of external
\(\langle|\mathbf{E}|^2\rangle,
\langle|\mathbf{B}|^2\rangle\) and \(\langle\overline{\mathscr{C}}\rangle\).
escat_, tfiles_, nselect_, verb_, noRTR_ are optional
inputs. dump_oaE2, dump_oaB2 are logical flags selecting
whether the orientation-averaged values \(\langle|\mathbf{E}|^2\rangle\) and \(\langle|\mathbf{B}|^2\rangle\) will be
calculated, respectively.
spectrumFF(ncut, wavelen, ehost, geometry, scheme, escat_, tfiles_, nselect_, noRTR_, verb_, sig_oa_, sig_, sig_abs_, jsig_abs_oa)
Calculates cross-section spectra for (multiple) fixed orientations,
partial absorptions, and orientation-averaged cross-sections for a
particle cluster. T-matrices for individual scatterers are
either constructed using Mie theory or read from an optional argument
tfiles_.
escat_, tfiles_, nselect_, verb_, noRTR_ are optional
inputs. jsig_abs_oa contains the orientation-averaged
absorption cross-section of each particle (valid for homogeneous spheres
only, at present).
solve(wavelen, ehost, geometry, nselect_, scheme_, verb_, noRTR_, TIJ, cJ_, cJint_, csAbs_, ierr_ )
This routine is the crux of terms and
solves a given multiple scattering problem by operating in a specified
scheme. TIJ is an in/output argument,
cJ_, cJint_, csAbs_ are optional in/output arguments,
nselect_, scheme_, verb_, noRTR_ are optional inputs, and
ierr_ is an optional output. TIJ (\(l_{max}\times \text{nscat}\), \(l_{max}\times\text{nscat}\)) as the input
argument stores the T-matrix of nonspherical particles as the
diagonal blocks of the matrix, or dielectric values of different shells
for spherical particles as the diagonal elements of the matrix.
nscat is the number of scatterers. This subroutine updates
and returns TIJ for the whole system as the output.
cJ_(nscat x l_{max}, 2, nfi) as the input argument contains
details of the incident field and as a output argument contains incident
plane wave coefficients in the first column and scattering coefficients
in the second column. nfi is the number of incident angles.
cJint_(nscat x l_{max}, 4, 2): contains the regular and
irregular field coefficients for each concentric region inside spherical
scatterers. csAbs_(nscat,4): contains absorption cross
section inside each shell of each spherical scatterer.
stageAmat(scatXYZ, scatMiet, rtr, right_, balance_, verb_, A, Tmats_)
Stages a pre-staged matrix \(A\).
A (l_{max} x nscat, l_{max} x nscat): an in/output matrix,
which must contain 1-body T-matrices in the diagonal blocks on
input and is a pre-staged matrix on the output;
right_, balance_, verb_ are optional inputs;
Tmats_(l_{max}, l_{max}, nscat): an optional output matrix
which contains the 1-body T-matrix of each particle.
balance_: a logical input argument which determines whether
balancing is applied or not.
calcTIJStout(scatXYZ, scatMiet, rtr, TIJ)
Calculates the scatterer-centred T-matrix using the recursive
scheme presented in Stout. TIJ is an in/output argument.
TIJ(l_{max} x nscat, l_{max} x nscat) as the input argument
stores the T-matrix of nonspherical particles as the diagonal
blocks, or dielectric values of different shells for spherical particles
as diagonal blocks.
calcTIMackowski(scatXYZ, scatMiet, rtr, TIJ)
Calculates the cluster’s T-matrix using Mackowski &
Mishchenko’s formulation. TIJ is an in/output argument.
TIJ(l_{max} x nscat, l_{max} x nscat) as the input argument
stores the T-matrix of nonspherical particles as the diagonal
blocks, or dielectric values of different shells for spherical particles
as diagonal blocks. The output TIJ is the scatterer-centred
T-matrices calculated using Mackowski & Mishchenko’s
scheme.
balanceMatJI(j, jregt, iregt, i, rev_, mnq_, Mat)
Performs balancing on a matrix (Mat) using two weights
(indexed by \(j\) and \(i\)). Mat is here taken as
relating two vectors of VSWF coefficients, \(c_j\) (centred at \(j\)) and \(c_i\) (centred at \(i\)), such that \(c_j = \text{Mat}\, c_i\). Logical inputs
jregt and iregt specify whether \(c_j\) and \(c_i\) are regular or not. Mat
is an in/output argument.
balanceVecJ(j, jregt, rev_, Vec)
Performs balancing on a single vector (V) with a weight
indexed by \(j\). V
corresponds here to the VSWF coefficients of particle \(j\). Vec is an unbalanced/
balanced vector as the in/output argument. j specifies the
scatterer.
calcCsStout(scatXYZR, aJ, fJ, nmax2_, tol_, verb_, sig)
Calculates the extinction, scattering and absorption cross-sections from
the incident and scattered coefficients using the Stout formulae.
nmax2_, tol_, verb_ are optional inputs and
sig is an in/output matrix.
calcCs(scatXYZR, inc, fJ, nmax2_, tol_, verb_, sig)
Calculates the extinction, scattering and absorption cross-sections from
the incident and scattered coefficients which are collapsed to the
common origin. Depending on the dimension of the sig, each
cross-section is either just a total sum, or resolved into contributions
from the multipole orders. inc: a vector of incidence
angles.
calcOAprops(Tmat, rtol_, sigOA, verb_)
Calculates orientation-averaged cross-sections and circular dichroism
(CD) by transforming the T-matrix (Tmat) from
"parity" (M–N) basis to "helicity" (L–R) basis, following Ref. .
rtol_ is an optional input, verb_ is an
optional output, and sigOA is an in/output matrix
containing orientation-averaged cross-sections and CD in each column for
\(n=1, \dots, n_{max}\).
contractTmat(Tin, scatXYZR, rtr, mack_, Tout, verb_)
Combines the scatterer-centred T-matrices into a common origin;
the output will be the collective T-matrix (Tout).
verb_ is an optional in/output, mack_ is an
optional logical input to calculate the collective T-matrix
based on Mackowski & Mishchenko’s scheme.
alphaTensor(T, Alpha)
Conversion of \(l\leq 3\) spherical
multipoles of the T-matrix \(T\) into cartesian multipoles (tensor
Alpha), following formulas for ‘Higher-Order Polarizability
Tensors’ in Mun. This function is called when the keyword
DumpCollectiveTmatrix is present, and outputs a file
alpha_col.txt in the working directory.
diagnoseTmat(mode_, verb_, Tmat)
Determines the value of \(n \leq
n_{max}\) when \(\operatorname{Tr}(\Re{(\text{Tcol})})\)
converges to \(\text{rtol\_G}:=10^{-\text{ncut(3)}}\). If
mode_ \(> 0\), also tests for the
general symmetry, which applies to all T-matrices. (See
equation 5.34 on p. 121 of Mishchenko).
calcOaStout(TIJ, scatXYZ, verb_, sigOA, cdOA_, jAbsOA)
Calculates the orientation-averaged extinction and scattering
cross-sections defined in equations 44 and 47 of Stout. The absorption
cross-section is then deduced as the difference. TIJ is the
collective T-matrix, sigOA(3) contains
orientation-averaged extinction and scattering cross-sections, and
cdOA_ is an optional output containing the corresponding
values of
jAbsOA: contains the orientation-averaged absorption
cross-section for each particle.
applyRotTranzRotOnMat(vtacs, bigdOP, rightOP, mat)
Performs the factorised translation of T-matrices when changing
origin. Instead of a single multiplication of a T-matrix by a
dense matrix containing the general translation-addition coefficients,
this routine executes three multiplications by sparse matrices
representing 1) a rotation, 2) a translation along the z-axis; and 3) an
inverse rotation. This is meant to be more efficient when high multipole
orders are included.
vtacs(2x pmax,2 x pmax): axial VTACs with \((m,n,q)\) indexing,
bigdOP(pmax, pmax): optional input for rotation,
rightOP: an optional logical input argument for applying
the product from the right. mat: a non/translated matrix as
the in/output.
calcField(r, geometry, ipwVec, ipwE0, scaCJ, intCJreg_, intCJirr_, scatK_, verb_, reE, imE, reB, imB, reE_sca,imE_sca, reB_sca,imB_sca, p_label)
Calculates the electric and magnetic near-field values at the determined
grid points.
r: a matrix containing the coordinates of the grid points;
ipwVec(3),ipwE0(3): contain the wavevector and
amplitude of the incident field, respectively; scaCJ: a
vector containing scattering coefficients,
intCJreg_, intCJirr_: contain the regular and irregular
parts of the incident field coefficients transformed to the origin of
each particle, respectively, scatK_ is the wavenumber in
the host medium, and
reE, imE, reB, imB, reE_sca,imE_sca, reB_sca,imB_sca:
contain real(re) and imaginary(im) parts of the total electric (E) and
magnetic (B) fields and the scattered field values at the grid
points.
dumpTmat(tmat, filename, lambda, eps_med, tol_, verb_)
Routine for dumping the collective T-matrix (tmat)
to a file in the format:
s, s’, n, n’, m, m’, T_re, T_im
filename is an argument of type character corresponding
to the name of the output file; lambda: the value of
wavelength; eps_med: the dielectric value of the host
medium.
dumpMatrix(mat, ofile, tolOP, verb_)
Outputs matrix mat to a desired optional tolerance
(tolOP). ofile: the name of the output
file.
offsetTmat(off, miet, rtr, right, bigD_, useD_, balJI_, Tmat)
Offsets the supplied T-matrix Tmat by
off, which can be either a square matrix of VTACs or a
(note: complex!) displacement vector \(k\mathbf{r}\)(3) from which VTACs will be
generated. Regular or irregular VTACs will be generated depending on
whether \(k\mathbf{r}\)(3) is purely
real or purely imaginary. If the logical input miet is
true, Tmat will be treated as diagonal. If the logical input
rtr is true, then offsetting will be based on factorised
translation. If the logical input right is true, then
offsetting will be done by post-multiplying Tmat from the right.
balJI_ triggers balancing of the VTACs and the
T-matrices individually, before offsetting, but currently works
only without factorised translation.
readTmatFile(filename, unit, wavelen, verb_, Tmat)
Reads a T-matrix from the input file (filename)
and import it into the matrix Tmat. unit: an
integer indexing the name of the T-matrix file.
wavelen is the value of the wavelength.
parseInc(inc, verb_, inc_dirn, inc_ampl)
Calculates the amplitude and direction vector of the incident plane wave
based on the input Euler angles (\(\alpha,
\beta, \gamma\)). inc_dirn and inc_ampl
are vectors containing the wavevector and amplitude of the incident
electric field in cartesian coordinates, respectively. inc
is a vector consisting of polarisation type and Euler angles of the
incidence direction.
calcStokesScaVec(sca_angles, inc2, ncut, wavelen, ehost, geometry, scheme, tfiles_, escat_, nselect_, noRTR_, verb_, StokesPhaseMat, StokesScaVec, diff_sca)
Calculates the Stokes phase matrix (StokesPhaseMat), Stokes
scattering vector (StokesScaVec), and differential
scattering cross-sections (diff_sca).
sca_angles is a matrix of desired scattering angles; if it
is not specified in the input file, they are taken equal to the
incidence angles. inc2 is a matrix containing incidence
angles.
calcLDOC(Ef, Bf, verb_, N_OpC)
Calculates the normalised optical chirality (\(\overline{\mathscr{C}}\)) relative to the
optical chirality of circularly polarised light. Ef,
Bf, and N_OpC are matrices containing the
electric and magnetic field, and \(\overline{\mathscr{C}}\) values at the grid
points, respectively.
calcOaNFUnpol(r, geometry, TIJ, lambda, ehost, escat, p_label, verb_, orEB2)
Calculates the orientation average of the total external electric and
magnetic field intensities. r is a matrix containing the
cartesian coordinates of the grid points. TIJ is the
scatterer-centred T-matrix of the cluster. orEB2
is a vector containing the value of orientation-averaged external
electric and magnetic field intensities at the grid points.
calcOaNF(pol_type, r, geometry, TIJ, Oa_OC, ehost, p_label, scatK_, verb_, Oa_EB2)
Calculates the orientation average of normalised optical chirality \(\langle\overline{\mathscr{C}}\rangle\), and
near field intensities \(\langle
|\mathbf{E}_\mathrm{tot}(\it{k}\mathbf{r})|^2\rangle\), \(\langle
|\mathbf{B}_\mathrm{tot}(\it{k}\mathbf{r})|^2\rangle\) for
circularly polarised incident light. pol_type is the
polarisation type, r is a matrix containing the cartesian
coordinate of the grid points. TIJ is the scatterer-centred
T-matrix of the structure.
calcTrace(TRANSA, TRANSB, A, B, tr)
Calculates the trace of a product of two matrices,
op(A)*op(B). The input characters TRANSA and
TRANSB determine the operation op, following
the convention of blas’
gemm. Specifically, op = ’N’ corresponds to
\(\mathtt{op(A) = A}\) (no operation),
whereas op = ’C’ corresponds to \(\mathtt{op(A) = A^\dagger}\).
acs_int_: a matrix containing partial internal
absorption inside each scatterer and for each shell.
aJ(\text{nscat}\times l_{max}), fJ(\text{nscat}\times l_{max}):
contains incident and scattering coefficients.
Bfield: contains the real and imaginary parts of the
magnetic near field at the specified grid points, wavelengths, and
incidence.
ehost: a vector of dielectric permittivity of the
host medium at specified wavelengths.
escat_(nscat, 4, size(wavelen)): depending on the
number of wavelengths, it is a 2D or 3D array of dielectric values for
each scatterer, for each shell and wavelength.
field: contains the real and imaginary parts of the
electric near field at the specified grid points, wavelengths, and
incidence.
geometry: a matrix containing physical information
of different scatterers such as centre, dimensions and
direction.
ierr_: an integer value (0 or 1 or 2); 0 indicates
solving was successful, 1 means there is an error in processing
arguments, and 2 means an error in prestaging, staging, or
solving/inverting \(Ax=b\).
iregt: logical input, specifies whether vectors are
regular or not.
jregt: logical input, specifies whether vectors are
regular or not.
mnq_: an optional logical argument which is false by
default, but if true will change the indexing convention from (q,n,m) to
(m,n,q), which is used to make the z-axial VTACs block-diagonal. Note
that index \(q\) corresponds to \(s\) in this user guide.
ncut: a vector in the form [\(n_1\), \(n_2\), tol], which contains the values
corresponding to the keyword "MultipoleCutoff". Default
values: \([8, 8, -8]\).
nmax2_: an integer value equals to ncut(2).
noRTR_: an optional input with logical value
.true. or .false. for the keyword
DisableRTR. Default: .false..
nselect_: an optional input matrix which includes
information about multipole selection for different scatterers.
oa_ldoc (\(\text{npts}\times 4\times
\text{nwavelen}\)): contains the orientation averaged value of
\(\overline{\mathscr{C}}\) at different
grid points and wavelengths.
orAvextE_int(\(\text{npts}\times \text{nwavelen}\)):
contains the orientation averaged electric field intensity values at
different grid points and wavelengths.
p_label: a matrix determining the position of each
grid point, whether it is inside the surrounding medium or particles,
and in which layer.
rev_: an optional logical input which is false by
default; triggers the reverse of balancing – "unbalancing".
right_: a logical input. There are two ways for
obtaining the TIJ matrix. This argument determines whether
the product is taken from the left or from the right.
rtr: a logical input that is the reverse of
noRTR_.
scatMiet(nscat): a logical vector with
.true. and .false. values, determining whether
a scatterer is spherical or not.
scatXYZ(3,nscat): a matrix containing the cartesian
coordinates (in lab frame) of the particle’s centre.
scatXYZR(4,nscat): a matrix containing the cartesian
coordinates (in lab frame) and the radius of the smallest circumscribed
sphere of each particle.
scheme, scheme_: an integer value specifying the
selected scheme.
sig_: a matrix containing cross-sections
(Extinction, Scattering, Absorption) for different polarisation(s),
wavelength(s), and incidence(s).
sig_abs_(\(4\times
\text{nscat}\times 4\times \text{nwavelen}\times \text{nfi}\)): a
5D array containing absorption cross-sections inside each shell for each
scatterer for 4 Jones vectors, different wavelengths and different
incidence directions.
sig_oa_(\(6\times
\text{n}\times \text{nwavelen}\)): a matrix consisting of
orientation-averaged cross-sections and CD at different wavelengtha. The
first column gives the values for \(n_{max}\) and other columns contain values
for different value of \(n=1, \dots,
\text{ncut(2)}\).
tfiles_: a matrix of character type, includes the
T-matrix filename and filepath for non-spherical
scatterers.
tol_, rtol_: a real value
rtol_G = 10^{\textbf{ncut(3)}}.
N_OC: contains \(\overline{\mathscr{C}}\) at the specified
grid points, wavelengths, and incidence.
verb_: an integer variable containing the verbosity
value (\(\in [0,1,2,3]\)) (the default
value is 1).
wavelen: a vector of specified
wavelength(s).
