Update README, remove obsolete periodic lattice tutorial
Former-commit-id: b720e30291768b564b73823c5741fe59ab46ed57
This commit is contained in:
Marek Nečada
parent
6c79a9116b
commit
87c2b08701
2
Doxyfile
2
Doxyfile
|
|
@ -51,7 +51,7 @@ PROJECT_BRIEF = "Electromagnetic multiple scattering library and toolki
|
|||
# and the maximum width should not exceed 200 pixels. Doxygen will copy the logo
|
||||
# to the output directory.
|
||||
|
||||
PROJECT_LOGO =
|
||||
PROJECT_LOGO = farfield.png
|
||||
|
||||
# The OUTPUT_DIRECTORY tag is used to specify the (relative or absolute) path
|
||||
# into which the generated documentation will be written. If a relative path is
|
||||
|
|
|
|||
66
README.md
66
README.md
|
|
@ -14,9 +14,11 @@ the particles. The system can consist either of a finite number of particles
|
|||
or an infinite number of periodically arranged lattices (with finite number
|
||||
of particles in a single unit cell).
|
||||
|
||||
|
||||
Features
|
||||
========
|
||||
|
||||
|
||||
Finite systems
|
||||
--------------
|
||||
* Computing multipole excitations and fields scattered from nanoparticle
|
||||
|
|
@ -31,7 +33,6 @@ Infinite systems (lattices)
|
|||
---------------------------
|
||||
* 2D-periodic systems with arbitrary unit cell geometry supported. (TODO 1D and 3D.)
|
||||
* Computing multipole excitations and fields scattered from nanoparticle
|
||||
arrays illuminated by plane (or other periodic) waves.
|
||||
* Finding eigenmodes and calculating dispersion relations.
|
||||
* Calculation of the scattered fields.
|
||||
* *Calculation of total transmission and reflection properties (TODO).*
|
||||
|
|
@ -39,6 +40,14 @@ Infinite systems (lattices)
|
|||
symmetries of the lattice (decomposition to irreducible representations) (in development).*
|
||||
|
||||
|
||||
Getting the code
|
||||
================
|
||||
|
||||
The main upstream public repository is located at <https://repo.or.cz/qpms.git>.
|
||||
Just clone the repository with `git` and proceed to the installation instructions
|
||||
below.
|
||||
|
||||
|
||||
Installation
|
||||
============
|
||||
The package depends on several python modules, a BLAS/LAPACK library with
|
||||
|
|
@ -99,16 +108,65 @@ under root.
|
|||
Tutorials
|
||||
---------
|
||||
|
||||
* [Infinite system (lattice) tutorial][tutorial-infinite]
|
||||
* [Finite system tutorial][tutorial-finite]
|
||||
|
||||
See also the examples directory.
|
||||
See also the examples directory in the source repository.
|
||||
|
||||
Acknowledgments
|
||||
================
|
||||
|
||||
This software has been developed in the [Quantum Dynamics research group][QD],
|
||||
Aalto University, Finland. If you use the code in your work, please cite
|
||||
**M. Nečada and P. Törmä, Multiple-scattering T-matrix simulations for nanophotonics: symmetries and periodic lattices, [arXiv: 2006.12968][lepaper] (2020)**
|
||||
in your publications, presentations, and similar.
|
||||
|
||||
Please also have a look at other publications by the group
|
||||
(google scholar Päivi Törmä), they may be useful for your work as well.
|
||||
|
||||
|
||||
Bug reports
|
||||
===========
|
||||
|
||||
If you believe that some parts of QPMS behave incorrectly, please mail
|
||||
a bug report to <marek@necada.org>. To ensure that your message is not
|
||||
considered spam, please start the subject line with `QPMS`.
|
||||
|
||||
If you were able to fix a bug yourself, please include the patch as well,
|
||||
see below.
|
||||
|
||||
|
||||
Contributions
|
||||
=============
|
||||
|
||||
Contributions to QPMS are welcome, be it bug fixes, improvements to the
|
||||
documentation, code quality, or new features.
|
||||
|
||||
You can send patches prepared using the
|
||||
[`git format-patch`](https://git-scm.com/docs/git-format-patch) tool
|
||||
to <marek@necada.org>.
|
||||
|
||||
If you plan to contribute with major changes to the codebase, it is
|
||||
recommended to discuss that first (see the contact information below).
|
||||
|
||||
|
||||
Contact & discussion
|
||||
====================
|
||||
|
||||
You can contact the main author e.g. via [e-mail](marek@necada.org)
|
||||
or [Telegram](https://t.me/necadam).
|
||||
|
||||
You are also warmly welcome to the [QPMS user chat](https://t.me/QPMScattering)
|
||||
in Telegram!
|
||||
|
||||
|
||||
|
||||
[SCUFF-EM]: https://homerreid.github.io/scuff-em-documentation/
|
||||
[OpenBLAS]: https://www.openblas.net/
|
||||
[GSL]: https://www.gnu.org/software/gsl/
|
||||
[cmake]: https://cmake.org
|
||||
[TRITON-README]: README.Triton.md
|
||||
[tRITON-README]: README.Triton.md
|
||||
[tutorial-finite]: finite_systems.md
|
||||
[tutorial-infinite]: lattices.md
|
||||
[doxygen]: http://doxygen.nl/
|
||||
[QD]: https://www.aalto.fi/en/department-of-applied-physics/quantum-dynamics-qd
|
||||
[lepaper]: https://arxiv.org/abs/2006.12968
|
||||
|
|
|
|||
Binary file not shown.
|
After Width: | Height: | Size: 2.1 KiB |
|
|
@ -1,6 +1,8 @@
|
|||
Using QPMS library for simulating finite systems
|
||||
================================================
|
||||
|
||||
*** This tutorial is partly obsolete, the interpolators are no longer the first choice of getting the T-matrices. ***
|
||||
|
||||
The main C API for finite systems is defined in [scatsystem.h][], and the
|
||||
most relevant parts are wrapped into python modules. The central data structure
|
||||
defining the system of scatterers is [qpms_scatsys_t][],
|
||||
|
|
|
|||
118
lattices.md
118
lattices.md
|
|
@ -1,118 +0,0 @@
|
|||
Using QPMS library for finding modes of 2D-periodic systems
|
||||
===========================================================
|
||||
|
||||
Calculating modes of infinite 2D arrays is now done
|
||||
in several steps (assuming the T-matrices have already
|
||||
been obtained using `scuff-tmatrix` or can be obtained
|
||||
from Lorenz-Mie solution (spherical particles)):
|
||||
|
||||
1. Sampling the *k*, *ω* space.
|
||||
2. Pre-calculating the
|
||||
Ewald-summed translation operators.
|
||||
3. For each *k*, *ω* pair, build the LHS operator
|
||||
for the scattering problem (TODO reference), optionally decomposed
|
||||
into suitable irreducible representation subspaces.
|
||||
4. Evaluating the singular values and finding their minima.
|
||||
|
||||
The steps above may (and will) change as more user-friendly interface
|
||||
will be developed.
|
||||
|
||||
|
||||
Preparation: compile the `ew_gen_kin` utility
|
||||
---------------------------------------------
|
||||
|
||||
This will change, but at this point, the lattice-summed
|
||||
translation operators are computed using the `ew_gen_kin`
|
||||
utility located in the `qpms/apps` directory. It has to be built
|
||||
manually like this:
|
||||
|
||||
```bash
|
||||
cd qpms/apps
|
||||
c99 -o ew_gen_kin -Wall -I ../.. -I ../../amos/ -O2 -ggdb -DQPMS_VECTORS_NICE_TRANSFORMATIONS -DLATTICESUMS32 2dlattice_ewald.c ../translations.c ../ewald.c ../ewaldsf.c ../gaunt.c ../lattices2d.c ../latticegens.c ../bessel.c -lgsl -lm -lblas ../../amos/libamos.a -lgfortran ../error.c
|
||||
```
|
||||
|
||||
Step 1: Sampling the *k*, *ω* space
|
||||
--------------------------------------
|
||||
|
||||
`ew_gen_kin` expects a list of (*k_x*, *k_y*)
|
||||
pairs on standard input (separated by whitespaces),
|
||||
the rest is specified via command line arguments.
|
||||
|
||||
So if we want to examine the line between the Г point and the point
|
||||
\f$ k = (0, 10^5\,\mathrm{m}^{-1}) \f$, we can generate an input
|
||||
running
|
||||
```bash
|
||||
for ky in $(seq 0 1e3 1e5); do
|
||||
echo 0 $ky >> klist
|
||||
done
|
||||
```
|
||||
|
||||
It also make sense to pre-generate the list of *ω* values,
|
||||
e.g.
|
||||
```bash
|
||||
seq 6.900 0.002 7.3 | sed -e 's/,/./g' > omegalist
|
||||
```
|
||||
|
||||
|
||||
Step 2: Pre-calculating the translation operators
|
||||
-------------------------------------------------
|
||||
|
||||
`ew_gen_kin` currently uses command-line arguments in
|
||||
an atrocious way with a hard-coded order:
|
||||
```
|
||||
ew_gen_kin outfile b1.x b1.y b2.x b2.y lMax scuffomega refindex npart part0.x part0.y [part1.x part1.y [...]]
|
||||
```
|
||||
where `outfile` specifies the path to the output, `b1` and `b2` are the
|
||||
direct lattice vectors, `lMax` is the multipole degree cutoff,
|
||||
`scuffomega` is the frequency in the units used by `scuff-tmatrix`
|
||||
(TODO specify), `refindex` is the refractive index of the background
|
||||
medium, `npart` number of particles in the unit cell, and `partN` are
|
||||
the positions of these particles inside the unit cell.
|
||||
|
||||
Assuming we have the `ew_gen_kin` binary in our `${PATH}`, we can
|
||||
now run e.g.
|
||||
```bash
|
||||
for omega in $(cat omegalist); do
|
||||
ew_gen_kin $omega 621e-9 0 0 571e-9 3 w_$omega 1.52 1 0 0 < klist
|
||||
done
|
||||
```
|
||||
This pre-calculates the translation operators for a simple (one particle per unit cell)
|
||||
621 nm × 571 nm rectangular lattice inside a medium with refractive index 1.52,
|
||||
up to the octupole (`lMax` = 3) order, yielding one file per frequency.
|
||||
This can take some time and
|
||||
it makes sense to run a parallelised `for`-loop instead; this is a stupid but working
|
||||
way to do it in bash:
|
||||
```bash
|
||||
N=4 # number of parallel processes
|
||||
for omega in $(cat omegalist); do
|
||||
((i=i%N)); ((i++==0)) && wait
|
||||
ew_gen_kin $omega 621e-9 0 0 571e-9 3 w_$omega 1.52 1 0 0 < klist
|
||||
echo $omega # optional, to follow progress
|
||||
done
|
||||
```
|
||||
|
||||
When this is done, we convert all the text output files into
|
||||
numpy's binary format in order to speed up loading in the following steps.
|
||||
This is done using the processWfiles_sortnames.py script located in the
|
||||
`misc` directory. Its usage pattern is
|
||||
```
|
||||
processWfiles_sortnames.py npart dest src1 [src2 ...]
|
||||
```
|
||||
where `npart` is the number of particles in the unit cell, `dest`
|
||||
is the destination path for the converted data (this will be
|
||||
a directory), and the remaining arguments are paths to the
|
||||
files generated by `ew_gen_kin`. In the case above, one could use
|
||||
```
|
||||
processWfiles_sortnames.py 1 all w_*
|
||||
```
|
||||
which would create a directory named `all` containing several
|
||||
.npy files.
|
||||
|
||||
|
||||
Steps 3, 4
|
||||
----------
|
||||
|
||||
TODO. For the time being, see e.g. the `SaraRect/dispersions.ipynb` jupyter notebook
|
||||
from the `qpms_ipynotebooks` repository
|
||||
for the remaining steps.
|
||||
|
||||
Loading…
Reference in New Issue