Commit Graph

1119 Commits

Author SHA1 Message Date
Marek Nečada 6445c3523e Experiments with Beyn's algorithm and singularities.
It seems that everything is fine in the end except
essential singularities inside the contour.


Former-commit-id: 9fe7135cb30d1fff1dc3ff9bf8a9152c6b0ef9b4
2019-09-17 15:14:09 +03:00
Marek Nečada 42931eb0a0 Additional test to Beyn solver (Example 4.9).
Former-commit-id: 63a78fa09fd3875e5d10b6b4fb6eea72010cfcee
2019-09-17 14:11:23 +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 9d0f910bba Some comments to beyn.c
Former-commit-id: cc756b3343a9290f3b3b8c79cec75559b11a952f
2019-09-17 07:17:04 +03:00
Marek Nečada e8a2426b55 Handle k->0 in Ewald sum.
Former-commit-id: fb61b297ead4828541b763b2ecdb0c81de1d35f1
2019-09-16 12:37:32 +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 ecbf5b10d4 Fix infinite loop in empty lattice modes generation
Former-commit-id: 1349035090712935a0d77d64c175e4358fb4d487
2019-09-13 16:20:39 +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 0f03509dde Mode frequency calculations for empty lattices.
Former-commit-id: ca14f8d765399c5bf92bb64cc7f1dc6722d53ebb
2019-09-13 11:52:56 +03:00
Marek Nečada 11aa48d2da Beyn minor fixes, cleaner API.
Former-commit-id: 44d7147a14194a7b8e5a66552dd3855029b9e370
2019-09-10 14:54:08 +03:00
Marek Nečada 3bc59096bc Public beyn_result_gsl_t -> beyn_result_gsl_t convertor.
Former-commit-id: 56fb70384c20b93dbc8b119c6b5b4128ce4fcaf9
2019-09-10 14:04:56 +03:00
Marek Nečada cbf039710f cdefs for beyn.h
Former-commit-id: 846f26b8a6e1a2829c379b1bcc9edae1a0965b26
2019-09-09 20:50:31 +03:00
Marek Nečada 658c564a0c Some 3D lattice functionality, little refactoring.
Former-commit-id: 8e6572c7352e3b9a75bc13585d688f1c72d378e1
2019-09-07 11:23:16 +03:00
Marek Nečada 1585c48071 Incremental cleanup.
Former-commit-id: d4d8d41a2edac7cf8ac341cce46e3c976ef68c5e
2019-09-02 13:43:46 +03:00
Marek Nečada 5dc2a44cdd Incremental cleanup and style assimilation
Former-commit-id: eb31cf03313edbad256331592afa4c6d212feab8
2019-09-02 12:31:37 +03:00
Marek Nečada c632ee36c5 QPMS_UNLIKELY macros to qpms_error.h
Former-commit-id: d879a2105fd35a7d17f090842b03286fd310fbc1
2019-09-02 12:03:27 +03:00
Marek Nečada cabe764640 Implement an API for Beyn's algorithm with standard C arrays.
Former-commit-id: 645490de63f802c8a41f3bad1845cd29e0c3d823
2019-09-02 11:57:56 +03:00
Marek Nečada bc703cbcca Beyn pure C api headers
Former-commit-id: 0e1da18ccf552d496eed4a073611c57d5e9619ba
2019-09-02 10:33:07 +03:00
Marek Nečada 537c4b2d37 Beyn solver new API
Former-commit-id: cb242415d66acebd42aa6c12ef74696f5dea85de
2019-08-31 14:35:56 +03:00
Marek Nečada 4c21fde628 WIP rewriting Beyn API
Former-commit-id: 0579928c1aac32ec82db0364080d46fcce7721a6
2019-08-28 15:12:42 +03:00
Marek Nečada 1aa9890155 Reindend, add also the 'coarse values' calculation
Former-commit-id: 2dc73a2875823cae187585787bd4d344dea232f9
2019-08-27 20:41:30 +03:00
Marek Nečada 5471367aad Finally reproduce Reid's implementation.
Former-commit-id: 215088edddd93c79b4a4ad3ee9836595bcc69167
2019-08-27 20:10:28 +03:00
Marek Nečada 00e3a9ce09 Fix test matrix definition
Former-commit-id: f5874c5cf632b9fe5c561154370a3460fc1c7b46
2019-08-27 19:06:37 +03:00
Marek Nečada 4d4ab9936b Variable Lovász condition parameter
Former-commit-id: 726d5c1b1dc03a5b11f8d7b32e6bf589efec369d
2019-08-25 21:17:23 +03:00
Marek Nečada 953132e4c9 Force doubles in the LLL-reduced array in numpy.
Former-commit-id: 70cffb53ff5b15515da8dd8ac18f74721f2c3b48
2019-08-25 19:27:45 +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 c0c44c11b6 Add some excessive checks for matrix inversion results
Former-commit-id: 229cdff48f8103cbadf00bbc92c11fa19e51a4b0
2019-08-23 20:09:21 +03:00
Marek Nečada 51fa6f1dd6 Try to reproduce Reid's RNG
Former-commit-id: b607cb40b9ac77970e0c4250cf033d22554de815
2019-08-23 15:05:23 +03:00
Marek Nečada 93d34c9830 Probably wrong target to zgetrs
Former-commit-id: 4d22626121778d77d61f4fa9f600fc87b91c1bec
2019-08-23 14:31:14 +03:00
Marek Nečada 8666657fcc Beyn fix memory leaks and swapped arguments in zgeev.
Former-commit-id: a63ba1bbd2ce50f664a419e4742fcead2fb355e1
2019-08-23 13:49:32 +03:00
Marek Nečada e898fd5ad8 tbeyn does not crash anymore but the result is wrong
Former-commit-id: 3288074674f1a3f61b43d905a96c865fa32faccd
2019-08-23 12:20:51 +03:00
Marek Nečada 26e7d9acee Merge branch 'master' into beyn_without_unitcell
Former-commit-id: ee56e6d72638fe01117d50fd78bd1eeeabf5f518
2019-08-23 11:27:01 +03:00
Marek Nečada 947f499bbf Print the argument return value in QPMS_ENSURE_SUCCESS.
Former-commit-id: 2aa9742b6bb1a10b963a197419af7ef57b7999c1
2019-08-23 11:26:22 +03:00
Marek Nečada 142d97d484 Beyn's method test (fails)
Former-commit-id: 535a94df45d1ddd6b23b6c94a8167ca969389099
2019-08-23 11:16:46 +03:00
Marek Nečada 32c9c2a434 qpms_error.h remove implicit dependency on stdbool.h
Former-commit-id: 8d6d3f0cf0e33e8f9401559625f7b3261d140cd6
2019-08-23 09:40:45 +03:00
Marek Nečada cf9892279d Beyn ready for testing
Former-commit-id: b058f06d1f4d80e366c2375764b0c7a0f252568b
2019-08-23 09:34:19 +03:00
Marek Nečada 6e875d65ae WIP Dealing with the Beyn clusterfuck (compiles now).
TODO inverse M -matrix


Former-commit-id: eb2a37128c04c10406dc65eca7d47152b4d93db9
2019-08-22 17:02:53 +03:00
Marek Nečada b52942a5e5 WIP real->complex cleanup in beyn algorithm.
Former-commit-id: 2cfe5b0c87924ab04255d36e46ee3c603f25ba6d
2019-08-21 13:05:17 +03:00
Kristian Arjas 3fb9f23af5 Add Beyn eigenmode solver
(cherry picked from commit 9ed6ee319a1d0b295ccbd690e7c0c0261111b456 [formerly 896e706a2da075c178b7e736761bdc01e4ea9800])


Former-commit-id: 6de5c14d48258b6105b76eb4fab5b555284caaa4
2019-08-21 11:57:22 +03:00
Marek Nečada cbbdec5963 Fix test for k != 0
Former-commit-id: e7a3099c4a28631129c07f82a71abc3edacfb7e5
2019-08-21 11:42:24 +03:00
Marek Nečada d91fdc2e80 More scalar Ewald tests (some pass!)
Former-commit-id: 85c3f542c317a7f7bb94bf8833a840d5cf82288d
2019-08-21 11:26:28 +03:00
Marek Nečada ad3d2d8071 Fix incomplete gamma via continued fractions for complex z.
Former-commit-id: 13ae61b958919bfcca2d3828bc7d38b0b6cbf77b
2019-08-20 17:31:43 +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 baad6b75aa Briefer test output
Former-commit-id: 31ebc020e2de9578cef908ff9d3b42cf7fcb6451
2019-08-20 08:52:23 +03:00
Marek Nečada a66f04a8c2 Continuos fractions for incomplete gamma, extending the domain a bit.
Former-commit-id: 838b5bd6c34d37348253aa21f45bb7601c8a6abb
2019-08-19 16:54:44 +03:00
Marek Nečada 20fac6036f Complex wave number for ewald sum (failing) + unit test.
Former-commit-id: a6c5e566028602ecd1047bc0b44677a4eeae3046
2019-08-19 15:10:39 +03:00
Marek Nečada 02e4e9c308 Some doxygen to ewald.h
Former-commit-id: aa68c91e6e6546b36a73c1c315e074f74905657e
2019-08-19 12:02:22 +03:00
Marek Nečada a20a5ac067 ewald translations legacy code removal
Former-commit-id: da74041f5105d6b3a3f9fe3ddaa7306e973bd440
2019-08-19 10:55:45 +03:00
Marek Nečada a5604bf0bc Merge branch 'master' into translations_cleanup
Former-commit-id: 80437d49a0bea655e3560aabc5a7b6dc7061aedc
2019-08-19 10:29:31 +03:00