Commit Graph

1154 Commits

Author SHA1 Message Date
Marek Nečada f994514aeb General heap-based lattice point generator compiles, untested.
Former-commit-id: 8106cf72ad1d96426c2273493499db48d232f642
2020-02-25 17:59:33 +02:00
Marek Nečada 1e765e3cf6 WIP Binary-heap based arbitrary-dimensional lattice point generator.
Former-commit-id: 9d58da7295f5918c7758c168a2352cc686efac98
2020-02-25 09:13:47 +02:00
Marek Nečada bf49531666 Experimental support for periodic lattices in scatsys "constructor".
Former-commit-id: 69727f4d415866b948af83c55ed8adb46b651f16
2020-02-14 16:35:55 +02:00
Marek Nečada 379dc3117e Move periodic lattice-related stuff into a separate structure
Former-commit-id: f2f49245a808a592d8f7c6bc7d795ae293d5ae62
2020-02-14 08:25:34 +02:00
Marek Nečada 2499c739c8 New members to qpms_scatsys_t for periodic lattices.
Former-commit-id: 94011c64fb1928b20419e628de045dbc762167eb
2020-02-13 23:02:46 +02:00
Marek Nečada 3fed9396a1 support for TMatrixInterpolator in TMatrixGenerator
Former-commit-id: ae3849483ca5d45d39ab51f9340d0c3c7a347865
2020-02-13 19:05:11 +02:00
Marek Nečada 54315c61c8 Irrep-decomposed scatsys beyn; fix missing FinitePointGroup reference
Former-commit-id: fa1032eb8fcb8ce1018b69fff5af6375b34115be
2020-02-04 20:19:42 +02:00
Marek Nečada cea33ae97c Beyn algorithm cython wrapper (finite systems)
Former-commit-id: 7f17e9673b9389fbf444d871e92f9b12e10d875d
2020-02-04 20:19:42 +02:00
Marek Nečada b4bd1eedac Beyn wrappers for finite system, doxygen
Former-commit-id: 236e802bc92c5fb0984f83b00c77555d5c29430d
2020-02-04 20:19:42 +02:00
Marek Nečada 68812c9555 Beyn algorithm "cherry-pick" from 'newbeyn_unitcell'
- Add rank_min_sel argument to beyn_solve() and beyn_solve_gsl()
- Fix order of K and K_coarse evaluation (K_coarse should probably
  be removed).


Former-commit-id: 8d2be922f8aa62754d10928f53fa6ab68f00dc8e
2020-02-04 20:19:42 +02:00
Marek Nečada d557a99a49 Fix finiterectlat-modes.py obvious errors.
Former-commit-id: c66c03a09c7264823a420d1f41e076a8064f041b
2020-02-04 16:55:18 +02:00
Marek Nečada 5176bd5451 Simple finite řectangular lattice mode search script
Former-commit-id: 39b34d0494ab1888b690345c469221ee8ae88bbd
2020-02-04 16:55:18 +02:00
Marek Nečada daf95e799a Avoid tmgen multiplicities (->slowdown) in ScatteringSystem constructor
Former-commit-id: 438ba0667e36a7c51b2ac5fe58cf62fea17eb132
2020-02-04 16:55:18 +02:00
Marek Nečada c11fe19af3 Remove build type hardcode spec.
Also add QPMS_NORETURN attribute/macro.


Former-commit-id: 0a3fa2ecb35e8ffcee698c98553577ab2bb513b0
2020-02-04 16:55:13 +02:00
Marek Nečada c7c27c4731 Fix memory leaks; use error macros
Former-commit-id: eee02afb23fe4c2be815c64be3a8bb589506a6e7
2020-02-04 16:55:07 +02:00
Marek Nečada 609b6e6265 Extract and inline translation matrix reordering procedure.
Former-commit-id: 327e1ccf9efc26647896db5bbe1a1a4e4d034d3c
2020-01-23 16:16:41 +02:00
Marek Nečada 0a7bd72004 Minor translations refactoring.
Former-commit-id: c4617e67be53861dc4080483f1457a6cbe31e2e9
2020-01-23 12:03:54 +02:00
Marek Nečada 76171179e7 Merge branch 'abstract_scatsystem'
"Abstract" scattering system for the finite case.


Former-commit-id: 1be9cb6196f660beaca04e8bd998b225cca30e94
2020-01-21 15:07:46 +02:00
Marek Nečada bc5a024e86 Fix another stupid bugs
Former-commit-id: 093b5d5f09ac6a6f9be35fb7e20f73b2ba48f1d6
2020-01-21 11:52:45 +02:00
Marek Nečada a2a51d0de6 Fix k-argument related bugs etc.
Former-commit-id: 72c955f31bcd1bfd9cd714c5b19d038f9c7ec6e3
2020-01-20 17:30:36 +02:00
Marek Nečada 71852aa017 Fix function name in header.
Former-commit-id: d9171a27990855ba0bdce741929b445b9688b444
2020-01-20 16:29:10 +02:00
Marek Nečada 937757cf47 Fix unitialised values, assertion.
Former-commit-id: ad712e7b88996e636e78350dcd23cfaf611bf0ec
2020-01-20 15:50:23 +02:00
Marek Nečada 3da4ec6b07 Disable useless compiler warnings.
(To be enabled again later during code cleanup.)


Former-commit-id: b89a16fad5d13d2f39f550b3e5e2e9b991908821
2020-01-20 12:22:45 +02:00
Marek Nečada 80a9f8703a Fix index mismatch
Former-commit-id: b1077e37785539b055c9d182b35273e321c0eda8
2020-01-17 16:06:51 +02:00
Marek Nečada 4674fa5844 fix qpms_tmatrix_copy and pointer for comparison
Former-commit-id: 98d91011109689512ccda2f8aab593909d0555e0
2020-01-16 10:33:04 +02:00
Marek Nečada 3b6fb71f2e fix qpms_tmatrix_copy
Former-commit-id: 42d6e8d194b926da4f2fe766818b72ee6c3b7d70
2020-01-16 10:11:00 +02:00
Marek Nečada 8b8d002d42 Support for constant T-matrix generator in cython.
Former-commit-id: 31024cb82d94fad7c1bbb9be91be8041611d6651
2020-01-16 10:08:30 +02:00
Marek Nečada a16cea4dca Set medium generators
Former-commit-id: 4eceb154349587fdb363a3e46073f065aa70fe61
2020-01-16 08:51:05 +02:00
Marek Nečada c445b83593 Implement previously forgotten functions.
Former-commit-id: df5215ad0349eb75bd2c7bee60f1fac50d23eb99
2020-01-16 07:52:50 +02:00
Marek Nečada 355bc52325 Rewrite ScatteringSystem. Compiles, not tested.
Former-commit-id: 513741a41cd9b65348a8e91c367cd105592a0d68
2020-01-15 03:51:35 +02:00
Marek Nečada 6d83e26aa7 Cython wrapper over qpms_tmatrix_function_t
Former-commit-id: 85b601b7b70bc664d0348619d46fef3bac98fd17
2020-01-14 22:09:55 +02:00
Marek Nečada b578f305ac Support for constant T-matrix generator in cython.
Former-commit-id: 184f88b0acf453d09e67f03cf41db06b4b4015bb
2020-01-14 19:19:08 +02:00
Marek Nečada c86ff69827 WIP cython scatsystem
Former-commit-id: f869e671148d3a75bbf34afe24aad02fd0d32611
2020-01-14 10:09:17 +02:00
Marek Nečada 8f90842b24 Minor docs update in scatsystem.h
Former-commit-id: 78caf1608c4ade295d47c17c20fb5743396cc8e8
2020-01-14 09:17:13 +02:00
Marek Nečada b708b74292 WIP Updating the cython scatsystem etc.
Former-commit-id: ead1919c099cb2a0953310953685df69b7e1cbfb
2020-01-10 17:11:55 +02:00
Marek Nečada be8f55eb1f Update qpms_cdefs.pyx
Former-commit-id: 7e1126b1bb594ffb1a8e5e9ed7a91839c0833b8f
2020-01-10 15:45:42 +02:00
Marek Nečada 6cf1f667de Default tolerance constant.
Former-commit-id: 19951825d21f94455da0228430a674eec37e7653
2020-01-10 15:20:45 +02:00
Marek Nečada c86b881088 Forgotten function renames
Former-commit-id: 89fa50cd8cfbdcf055e57f54093464f1e028c5bc
2020-01-10 15:20:10 +02:00
Marek Nečada 5a98b91b3d Rewriting scatsystem: compiles without errors now.
Former-commit-id: cd68b0feaef7181874d94dc535fd2cc9bc89e518
2020-01-10 11:44:15 +02:00
Marek Nečada 541af5a984 WIP Rewriting scatsystem.
Former-commit-id: 17f0f48ab54b84c4701b17846f941dd0142eb668
2020-01-09 16:57:30 +02:00
Marek Nečada 5dd93235f0 New qpms_scatsys_apply_symmetry kinda done?
Former-commit-id: 49a7a7984af6ad6e0e5ec1b5cc7b61ac06f81b8d
2020-01-09 10:42:49 +02:00
Marek Nečada 7e57c3cc81 WIP new scatsystem
(keskeytetty n. scatsystem.c:214)


Former-commit-id: 5d205f46f38f7b9e988bd03b8a9bff70b3986808
2020-01-08 16:00:09 +02:00
Marek Nečada 3bf263c4f3 Copying of T-matrix operations
Former-commit-id: dea91f97e5e72146039868ab5f0c8ac5e7ea7a57
2020-01-08 15:18:25 +02:00
Marek Nečada e1a6389232 Some new convenience functions and types.
Former-commit-id: 7701cd8ee779e06ba18d6e19bfe650bd9465487f
2020-01-08 14:39:29 +02:00
Marek Nečada d31d8737b8 WIP scatsystem update for "abstract" T-matrices.
Former-commit-id: 7f723a0f459f263e12282edfb1e8deb440650880
2020-01-07 16:57:59 +02:00
Marek Nečada c2b4787cd5 Implementation of qpms_tmatrix_apply_operation().
Former-commit-id: 6773f0e1d02d5f929c2039f99338f08c25d0ccab
2020-01-07 08:14:06 +02:00
Marek Nečada dff8293e6d T-matrix general operation type definitions and destructor.
Former-commit-id: 491a4d8ad602a7252aa9f4446b55c7c905102de9
2020-01-06 02:17:09 +02:00
Marek Nečada d17a5e5eea WIP data structure redefinitions.
Former-commit-id: 5e2baffb4a47657233e792407630507ba611b129
2019-12-21 11:36:01 +02:00
Marek Nečada d53f2964f0 WIP abstract t-matrices
Former-commit-id: 8c573ac3a62bf92195246d6eb95f95df240c48a1
2019-12-19 13:50:12 +02:00
Marek Nečada b6e6554323 Fix imports in symmetries.py
Former-commit-id: 54104859c5858f92fdef0250991802629003e144
2019-12-19 05:30:46 +02:00