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Former-commit-id: 41d40d0dffe53ec98ca8befc1230781b31647866
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Marek Nečada 2019-06-13 10:51:46 +03:00
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finite_systems.md
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@ -12,7 +12,7 @@ under the symmetry operations.
Let's have look how thinks are done on a small python script. Let's have look how thinks are done on a small python script.
The following script is located in `misc/201903_finiterectlat_AaroBEC.py`. The following script is located in `misc/201903_finiterectlat_AaroBEC.py`.
``` ```{.py}
#!/usr/bin/env python #!/usr/bin/env python
from qpms import Particle, CTMatrix, BaseSpec, FinitePointGroup, ScatteringSystem, TMatrixInterpolator, eV, hbar, c from qpms import Particle, CTMatrix, BaseSpec, FinitePointGroup, ScatteringSystem, TMatrixInterpolator, eV, hbar, c
from qpms.symmetries import point_group_info from qpms.symmetries import point_group_info
@ -67,7 +67,7 @@ for iri in range(ss.nirreps):
Let's have a look at the imports. Let's have a look at the imports.
``` ```{.py}
from qpms import Particle, CTMatrix, BaseSpec, FinitePointGroup, ScatteringSystem, TMatrixInterpolator, eV, hbar, c from qpms import Particle, CTMatrix, BaseSpec, FinitePointGroup, ScatteringSystem, TMatrixInterpolator, eV, hbar, c
from qpms.symmetries import point_group_info from qpms.symmetries import point_group_info
``` ```
@ -96,12 +96,12 @@ from qpms.symmetries import point_group_info
mentioned earlier, containing info about the whole structure. mentioned earlier, containing info about the whole structure.
* `TMatrixInterpolator` in a wrapper over the C structure * `TMatrixInterpolator` in a wrapper over the C structure
`qpms_tmatrix_interpolator_t` which contains tabulated T-matrices `qpms_tmatrix_interpolator_t` which contains tabulated T-matrices
(calculated e.g. using `scuff-tmatrix`) (calculated e.g. using [`scuff-tmatrix`][scuff-tmatrix])
and generates frequency-interpolated T-matrices base on these. and generates frequency-interpolated T-matrices based on these.
* `eV`, `hbar`, `c` are numerical constants with rather obvious meanings. * `eV`, `hbar`, `c` are numerical constants with rather obvious meanings.
Let's go on: Let's go on:
``` ```{.py}
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_cleaned.TMatrix'
@ -119,7 +119,7 @@ possible asymmetries caused by the used mesh. The `atol` parameter just says
that if the absolute value of a given T-matrix element is smaller than the that if the absolute value of a given T-matrix element is smaller than the
`atol` value, it is set to zero. `atol` value, it is set to zero.
``` ```{.py}
omega = float(sys.argv[3]) * eV/hbar omega = float(sys.argv[3]) * eV/hbar
sv_threshold = float(sys.argv[4]) sv_threshold = float(sys.argv[4])
@ -145,7 +145,7 @@ of a rectangular array. Finally, these particles are used to generate
the final scattering system – the rest of the particles is generated the final scattering system – the rest of the particles is generated
automatically to satisfy the specified system symmetry. automatically to satisfy the specified system symmetry.
``` ```{.py}
for iri in range(ss.nirreps): for iri in range(ss.nirreps):
mm_iri = ss.modeproblem_matrix_packed(k, iri) mm_iri = ss.modeproblem_matrix_packed(k, iri)
U, S, Vh = np.linalg.svd(mm_iri) U, S, Vh = np.linalg.svd(mm_iri)
@ -169,3 +169,4 @@ The singular vectors corresponding to zero singular values represent the
[scatsystem.h]: @ref scatsystem.h [scatsystem.h]: @ref scatsystem.h
[qpms_scatsys_t]: @ref qpms_scatsys_t [qpms_scatsys_t]: @ref qpms_scatsys_t
[scuff-tmatrix]: https://homerreid.github.io/scuff-em-documentation/applications/scuff-tmatrix/scuff-tmatrix/