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965 Commits

Author SHA1 Message Date
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
Marek Nečada e971aa0e79 Fix single translation coefficients. 
Former-commit-id: 1c045d994bb46ed16350d294bacc9203854cd2ea
 2019-08-19 10:29:02 +03:00
Marek Nečada 9ea487df84 translations.c return accidentally deleted function, 
remove more legacy stuff


Former-commit-id: 6bb2033234a893e85a0242c10156a700bd2d3ceb
 2019-08-19 09:29:14 +03:00
Marek Nečada 8b9c5a794c translations legacy code removal 
Former-commit-id: 98e883f9c7586208623acca05585f747dc57f911
 2019-08-19 08:01:59 +03:00
Marek Nečada 0b0ebf2bce Start modifying the tests structure. 
Former-commit-id: 2e95b72fb3258fddd75a3b9c2ab23aa53b0a9d9a
 2019-08-17 13:57:24 +03:00