Commit Graph

57 Commits

Author SHA1 Message Date
Marek Nečada cc9dbb6cc5 Make the additional Drude-Lorentz parameters available from Python
Former-commit-id: f08c96459c7cfd07b2adbf4670de59b1ce0b6ea1
2019-11-06 12:04:52 +02:00
Marek Nečada d79a35110c Merge branch 'beyn_rework'
Former-commit-id: 3366b1421056a2ac097b79f62bfbccd82d87de1b
2019-11-04 09:43:44 +02:00
Marek Nečada 84acb1ada2 Allow to select only either of long/short range Ewald sum parts
(cherry picked from commit 97b7782291380193835c23a4f0ea04ff5f44273e [formerly 41b1a76d5ed571b507abc0515b3cba60e8c0ccca])


Former-commit-id: 4d51186e653babfdc84fc45a4ab70a3ffdc02eee
2019-11-04 09:38:23 +02:00
Marek Nečada e7f0e0131f Basic branch selection functionality for incomplete Γ.
No modifications with effects on Ewald sums done yet.


Former-commit-id: e362341713ce306482386b9e6f2a48c336fad7a1
2019-10-06 01:30:29 +03:00
Marek Nečada aa86fcfb08 Expose low-level scalar Ewald sums via cython.
Former-commit-id: 9910decff1e8e91c802f0f8d10573ec430dda468
2019-10-03 00:52:14 +03:00
Marek Nečada 79e6c47f94 Beyn integration contours to pxd
Former-commit-id: d33de9a694ea7d5600a627062c7119e8483d753e
2019-10-01 11:52:29 +03:00
Marek Nečada 2fcc6282fa "Half-ellipse" integration contour.
Former-commit-id: 800079fba837d65f84af62d5adfad177a6aa3cdf
2019-09-26 10:09:35 +03:00
Marek Nečada bd0b8a83e9 Beyn: functionality for testing if points are inside contour.
Former-commit-id: 5c88b6e9aa4308201871a9b19c8d20c04b93a718
2019-09-17 07:58:59 +03:00
Marek Nečada 2762ada49c Beyn: keep singular values from rank test
Former-commit-id: eb82025e460575335f9d6e3d9acb3cfdfe8867f0
2019-09-16 08:02:31 +03:00
Marek Nečada b45bdcd49a Bug fixes mostly in lattice generators.
Former-commit-id: 1fbed5865f20b7191b31fe24d263bd16baca7fa7
2019-09-13 15:51:19 +03:00
Marek Nečada e910de936e 2d empty lattice modes pxd; fix a corner case.
Former-commit-id: aa33c85a6a0d2107caef752900690f471cc6350f
2019-09-13 13:18:23 +03:00
Marek Nečada 11aa48d2da Beyn minor fixes, cleaner API.
Former-commit-id: 44d7147a14194a7b8e5a66552dd3855029b9e370
2019-09-10 14:54:08 +03:00
Marek Nečada cbf039710f cdefs for beyn.h
Former-commit-id: 846f26b8a6e1a2829c379b1bcc9edae1a0965b26
2019-09-09 20:50:31 +03:00
Marek Nečada 4d4ab9936b Variable Lovász condition parameter
Former-commit-id: 726d5c1b1dc03a5b11f8d7b32e6bf589efec369d
2019-08-25 21:17:23 +03:00
Marek Nečada 0ea3510575 Lenstra-Lenstra-Lovász lattice basis reduction.
Former-commit-id: 3ada9f1ebf783d07c31671fd81cb6f7d6fe6187b
2019-08-25 18:58:05 +03:00
Marek Nečada ce905eb0a4 Expose my incomplete gamma function in Python.
More sophisticated GSL error handling


Former-commit-id: 4233d01d8aff64b00502c55cb50b54faa5c25ceb
2019-08-20 12:46:28 +03:00
Marek Nečada 8b9c5a794c translations legacy code removal
Former-commit-id: 98e883f9c7586208623acca05585f747dc57f911
2019-08-19 08:01:59 +03:00
Marek Nečada 5e2dcf2100 VSWFNorm IntFlag / IntEnum fallback
Former-commit-id: f1cc46f208bdceac972409836a238a56966277a4
2019-08-15 15:19:54 +03:00
Marek Nečada 5a9219a4f6 Expose single vswf functions to cython.
Former-commit-id: 7fd1183cdab2d6f60b446879a875dab4d673da73
2019-08-14 11:04:42 +03:00
Marek Nečada 1bf9c0b44e Cython bindings for "pi, tau" functions
Former-commit-id: 74edc5a7a431a190150c4e1cbb3563809c6b9c01
2019-08-13 17:18:39 +03:00
Marek Nečada 7a0386086a Functions to calculate the R,Q matrices for axially symmetric particles separately.
Former-commit-id: 0861a9014f293153b786b879bb3803d5ee002b56
2019-08-13 13:30:48 +03:00
Marek Nečada 38ecd6bce1 Material generator cython wrappers (partly broken)
Former-commit-id: 881a182939bae3cccb545d51f1d138997bdf9c5c
2019-08-11 09:43:45 +03:00
Marek Nečada 1ef0c0ad4e Update qpms_cdefs.pxd
Former-commit-id: 77ffd62660d9cc0c109c6a49290ea2f3f6f2a54e
2019-08-09 17:45:12 +03:00
Marek Nečada 8158cef41c Move material properties-related stuff to materials.[ch]
Former-commit-id: 0039b167488c5aca55ea1912e43ec3ab8b289c1e
2019-08-08 15:33:06 +03:00
Marek Nečada 1b63d75153 PointGroup cython class, fix many bugs (quaternion ambiguity).
Former-commit-id: 16835b9f03c4fbb28c414ce9844cabb30aabfb00
2019-07-24 18:26:12 +03:00
Marek Nečada e048a78055 rename wigner.h to quaternions.h
Former-commit-id: 190a4795704233f6743e3cf1b873e4cd8dae3936
2019-07-23 23:06:44 +03:00
Marek Nečada 0ffee1a073 Solve scattering problem using LU decomposition.
Former-commit-id: 32388ecc2da5d60a3b3616a765c0ecaed87fb4fd
2019-07-23 15:50:31 +03:00
Marek Nečada e05a79483d Apply T-matrices on incident fields vector.
Former-commit-id: c1cfd5a2c24651f55325d73430387a4e87276d48
2019-07-22 16:56:03 +03:00
Marek Nečada ef118d2d88 Access BaseSpec normalisation convention; minor tweaks
Former-commit-id: 3000084f187ac4d3f5e74c1ad27dd70097b9edd1
2019-07-22 12:25:57 +03:00
Marek Nečada d01ab445fe Cython-wrap additional translations.h functions.
Former-commit-id: 4b1ad54f40167f66b6788cb2976ca854b7971a5e
2019-07-22 10:08:09 +03:00
Marek Nečada 29a521db81 ss irrep acked translation matrix attempt
Former-commit-id: 2d90bc2a40a7714eb3fa795b9fa9770387373513
2019-07-22 01:08:41 +03:00
Marek Nečada 9c7d69dc5c Get rid of dependency on Moble's quaternions.
Former-commit-id: 182aeda66992aa43c2c172c28a199feba0d6878f
2019-07-21 23:37:25 +03:00
Marek Nečada 52039f5cbb ss build translation matrix: enable other Bessel funcs.
Former-commit-id: 66d4993430322b7de00a408406b89972b7dd7c48
2019-07-21 21:14:11 +03:00
Marek Nečada a63348d414 Avoid silent crashing of TMatrixInterpolator.__cinit__()
Former-commit-id: fb6bfc9f52b8d0dadf89c93835360bca54cb66c9
2019-07-16 14:06:55 +03:00
Marek Nečada ee86a20fd2 Cython nested union declaration workaround.
Former-commit-id: 283cd4a381b95928321a1b8b38ec5692cf657aba
2019-07-15 17:26:32 +03:00
Marek Nečada 911f6b758c WIP cython wrappers for plane waves in scatsys
Former-commit-id: 42cf85afc93e9cc63291b7030a7129a21e098826
2019-07-15 16:36:37 +03:00
Marek Nečada 4eb4cdfcbe Some updates in cython related to new qpms_normalisation_t
Former-commit-id: 23ef001623ff6d6ffd847dfd72214aa8231ebda9
2019-07-14 20:19:13 +03:00
Marek Nečada 652ab6f3ba Debug message types
Former-commit-id: 666a031026a363b15c01ca8cdc174fbf152dee8e
2019-03-27 09:25:47 +02:00
Marek Nečada 2ab4c55e13 Some control over the launched threads in scatsystem.
Former-commit-id: a67102dcb367b8fe577f9d8896c9a477571c7d6f
2019-03-26 11:33:22 +00:00
Marek Nečada 8683c69c0e Cython wrapper over qpms_permittivity_interpolator_t.
Former-commit-id: 38b362b52a8e8f5b6defca688b0589b25a2dfe22
2019-03-24 14:47:42 +00:00
Marek Nečada 4475cffeba C Mie T-matrices but demand yet Bessel functions of complex arguments.
Former-commit-id: 101201f5d72ab0f45eefc09c860b65b6841460bf
2019-03-18 19:54:29 +02:00
Marek Nečada 2af9b83e35 Move T-matrix -related C code to scatsystem.[ch]
Former-commit-id: e9a162c14fe5d91281d79d9af08014787cd7ed13
2019-03-18 15:04:21 +02:00
Marek Nečada 98da54946c Parallel mode problem matrix creation.
Former-commit-id: a81323f6ba53fc5e790e489314bca98f6ae1ca0a
2019-03-18 01:06:04 +00:00
Marek Nečada 7db7123c91 Alternative implementation of irrep packed modeproblem matrix.
Former-commit-id: ed37e98423e03f96f6fb850820bfae451f505f21
2019-03-17 21:49:10 +00:00
Marek Nečada cce4f15eac some tests and calculate the translation matrix separately; still not working
Maybe the problem is with the x-y flips?


Former-commit-id: 6a1ffe4c9697c7ece90a359211ee4a82b2dbb538
2019-03-09 12:29:43 +00:00
Marek Nečada e265c01760 Scatsys full mode problem matrix; wrong result.
Former-commit-id: d09e4210fa543068e0e6a7df80a1bef134e60ca7
2019-03-09 10:59:26 +00:00
Marek Nečada fd13756b86 ss vector packing and unpacking fixed and cython-wrapped.
Former-commit-id: ab1002b4c7b6fa4b7c14520d689cd7cd030b84e0
2019-03-08 11:10:33 +00:00
Marek Nečada 04923d0b45 T-matrix reading function fix wrong nesting & other fixes.
Former-commit-id: e0a81510ec618fcc554f5ca9eee0b0a006970414
2019-03-06 21:29:19 +00:00
Marek Nečada 48758c42d6 cython wrapper for C T-matrix interpolator.
Former-commit-id: 3c2c27b504d354513c0dd10b767f265fa6bd19c1
2019-03-06 20:15:27 +00:00
Marek Nečada 59cf2e0778 Basic Python wrapper of qpms_scatsystem_t
Former-commit-id: e12b21cd5219f7a995c228de8758ef58498ac987
2019-03-03 00:05:24 +00:00