Marek Nečada
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cabe764640
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Implement an API for Beyn's algorithm with standard C arrays.
Former-commit-id: 645490de63f802c8a41f3bad1845cd29e0c3d823
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2019-09-02 11:57:56 +03:00 |
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Marek Nečada
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bc703cbcca
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Beyn pure C api headers
Former-commit-id: 0e1da18ccf552d496eed4a073611c57d5e9619ba
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2019-09-02 10:33:07 +03:00 |
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Marek Nečada
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537c4b2d37
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Beyn solver new API
Former-commit-id: cb242415d66acebd42aa6c12ef74696f5dea85de
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2019-08-31 14:35:56 +03:00 |
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Marek Nečada
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4c21fde628
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WIP rewriting Beyn API
Former-commit-id: 0579928c1aac32ec82db0364080d46fcce7721a6
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2019-08-28 15:12:42 +03:00 |
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Marek Nečada
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1aa9890155
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Reindend, add also the 'coarse values' calculation
Former-commit-id: 2dc73a2875823cae187585787bd4d344dea232f9
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2019-08-27 20:41:30 +03:00 |
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Marek Nečada
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5471367aad
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Finally reproduce Reid's implementation.
Former-commit-id: 215088edddd93c79b4a4ad3ee9836595bcc69167
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2019-08-27 20:10:28 +03:00 |
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Marek Nečada
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00e3a9ce09
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Fix test matrix definition
Former-commit-id: f5874c5cf632b9fe5c561154370a3460fc1c7b46
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2019-08-27 19:06:37 +03:00 |
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Marek Nečada
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4d4ab9936b
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Variable Lovász condition parameter
Former-commit-id: 726d5c1b1dc03a5b11f8d7b32e6bf589efec369d
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2019-08-25 21:17:23 +03:00 |
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Marek Nečada
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953132e4c9
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Force doubles in the LLL-reduced array in numpy.
Former-commit-id: 70cffb53ff5b15515da8dd8ac18f74721f2c3b48
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2019-08-25 19:27:45 +03:00 |
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Marek Nečada
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0ea3510575
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Lenstra-Lenstra-Lovász lattice basis reduction.
Former-commit-id: 3ada9f1ebf783d07c31671fd81cb6f7d6fe6187b
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2019-08-25 18:58:05 +03:00 |
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Marek Nečada
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c0c44c11b6
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Add some excessive checks for matrix inversion results
Former-commit-id: 229cdff48f8103cbadf00bbc92c11fa19e51a4b0
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2019-08-23 20:09:21 +03:00 |
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Marek Nečada
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51fa6f1dd6
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Try to reproduce Reid's RNG
Former-commit-id: b607cb40b9ac77970e0c4250cf033d22554de815
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2019-08-23 15:05:23 +03:00 |
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Marek Nečada
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93d34c9830
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Probably wrong target to zgetrs
Former-commit-id: 4d22626121778d77d61f4fa9f600fc87b91c1bec
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2019-08-23 14:31:14 +03:00 |
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Marek Nečada
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8666657fcc
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Beyn fix memory leaks and swapped arguments in zgeev.
Former-commit-id: a63ba1bbd2ce50f664a419e4742fcead2fb355e1
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2019-08-23 13:49:32 +03:00 |
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Marek Nečada
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e898fd5ad8
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tbeyn does not crash anymore but the result is wrong
Former-commit-id: 3288074674f1a3f61b43d905a96c865fa32faccd
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2019-08-23 12:20:51 +03:00 |
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Marek Nečada
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26e7d9acee
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Merge branch 'master' into beyn_without_unitcell
Former-commit-id: ee56e6d72638fe01117d50fd78bd1eeeabf5f518
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2019-08-23 11:27:01 +03:00 |
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Marek Nečada
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947f499bbf
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Print the argument return value in QPMS_ENSURE_SUCCESS.
Former-commit-id: 2aa9742b6bb1a10b963a197419af7ef57b7999c1
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2019-08-23 11:26:22 +03:00 |
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Marek Nečada
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142d97d484
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Beyn's method test (fails)
Former-commit-id: 535a94df45d1ddd6b23b6c94a8167ca969389099
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2019-08-23 11:16:46 +03:00 |
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Marek Nečada
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32c9c2a434
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qpms_error.h remove implicit dependency on stdbool.h
Former-commit-id: 8d6d3f0cf0e33e8f9401559625f7b3261d140cd6
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2019-08-23 09:40:45 +03:00 |
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Marek Nečada
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cf9892279d
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Beyn ready for testing
Former-commit-id: b058f06d1f4d80e366c2375764b0c7a0f252568b
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2019-08-23 09:34:19 +03:00 |
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Marek Nečada
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6e875d65ae
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WIP Dealing with the Beyn clusterfuck (compiles now).
TODO inverse M -matrix
Former-commit-id: eb2a37128c04c10406dc65eca7d47152b4d93db9
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2019-08-22 17:02:53 +03:00 |
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Marek Nečada
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b52942a5e5
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WIP real->complex cleanup in beyn algorithm.
Former-commit-id: 2cfe5b0c87924ab04255d36e46ee3c603f25ba6d
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2019-08-21 13:05:17 +03:00 |
Kristian Arjas
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3fb9f23af5
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Add Beyn eigenmode solver
(cherry picked from commit 9ed6ee319a1d0b295ccbd690e7c0c0261111b456 [formerly 896e706a2da075c178b7e736761bdc01e4ea9800])
Former-commit-id: 6de5c14d48258b6105b76eb4fab5b555284caaa4
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2019-08-21 11:57:22 +03:00 |
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Marek Nečada
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cbbdec5963
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Fix test for k != 0
Former-commit-id: e7a3099c4a28631129c07f82a71abc3edacfb7e5
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2019-08-21 11:42:24 +03:00 |
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Marek Nečada
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d91fdc2e80
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More scalar Ewald tests (some pass!)
Former-commit-id: 85c3f542c317a7f7bb94bf8833a840d5cf82288d
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2019-08-21 11:26:28 +03:00 |
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Marek Nečada
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ad3d2d8071
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Fix incomplete gamma via continued fractions for complex z.
Former-commit-id: 13ae61b958919bfcca2d3828bc7d38b0b6cbf77b
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2019-08-20 17:31:43 +03:00 |
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Marek Nečada
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ce905eb0a4
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Expose my incomplete gamma function in Python.
More sophisticated GSL error handling
Former-commit-id: 4233d01d8aff64b00502c55cb50b54faa5c25ceb
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2019-08-20 12:46:28 +03:00 |
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Marek Nečada
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baad6b75aa
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Briefer test output
Former-commit-id: 31ebc020e2de9578cef908ff9d3b42cf7fcb6451
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2019-08-20 08:52:23 +03:00 |
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Marek Nečada
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a66f04a8c2
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Continuos fractions for incomplete gamma, extending the domain a bit.
Former-commit-id: 838b5bd6c34d37348253aa21f45bb7601c8a6abb
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2019-08-19 16:54:44 +03:00 |
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Marek Nečada
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20fac6036f
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Complex wave number for ewald sum (failing) + unit test.
Former-commit-id: a6c5e566028602ecd1047bc0b44677a4eeae3046
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2019-08-19 15:10:39 +03:00 |
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Marek Nečada
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02e4e9c308
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Some doxygen to ewald.h
Former-commit-id: aa68c91e6e6546b36a73c1c315e074f74905657e
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2019-08-19 12:02:22 +03:00 |
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Marek Nečada
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a20a5ac067
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ewald translations legacy code removal
Former-commit-id: da74041f5105d6b3a3f9fe3ddaa7306e973bd440
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2019-08-19 10:55:45 +03:00 |
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Marek Nečada
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a5604bf0bc
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Merge branch 'master' into translations_cleanup
Former-commit-id: 80437d49a0bea655e3560aabc5a7b6dc7061aedc
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2019-08-19 10:29:31 +03:00 |
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Marek Nečada
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e971aa0e79
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Fix single translation coefficients.
Former-commit-id: 1c045d994bb46ed16350d294bacc9203854cd2ea
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2019-08-19 10:29:02 +03:00 |
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Marek Nečada
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9ea487df84
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translations.c return accidentally deleted function,
remove more legacy stuff
Former-commit-id: 6bb2033234a893e85a0242c10156a700bd2d3ceb
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2019-08-19 09:29:14 +03:00 |
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Marek Nečada
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8b9c5a794c
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translations legacy code removal
Former-commit-id: 98e883f9c7586208623acca05585f747dc57f911
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2019-08-19 08:01:59 +03:00 |
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Marek Nečada
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0b0ebf2bce
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Start modifying the tests structure.
Former-commit-id: 2e95b72fb3258fddd75a3b9c2ab23aa53b0a9d9a
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2019-08-17 13:57:24 +03:00 |
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Marek Nečada
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5820de30ef
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Ewald.h doxygen
Former-commit-id: b89871b97680d5262637e7c1af2186c1d1307a84
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2019-08-17 13:31:38 +03:00 |
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Marek Nečada
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7b8e7d39e5
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Branch hints in frequently used inlines
Former-commit-id: aff247930de71d535e5cb455828f993b244053a2
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2019-08-17 12:02:08 +03:00 |
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Marek Nečada
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3e427f35ae
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Additional notes for axially symmetric particles
Former-commit-id: 989527ac17b0daea7abb3b15a71ae66d9ae224bf
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2019-08-16 12:57:40 +03:00 |
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Marek Nečada
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3e6f004605
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Compiler warnings, doxygen fixes
Former-commit-id: 2686ab2db0a61327db1ef5ce3799f3e88fea0f49
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2019-08-16 11:17:59 +03:00 |
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Marek Nečada
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03188d43f7
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Fix the integrand for axially symmetric T-matrices.
Forgotten jacobian, FFS.
Former-commit-id: f9a409bd1f5af78bb460d4bd3a9aadf78cebc2a7
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2019-08-16 10:05:23 +03:00 |
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Marek Nečada
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5e2dcf2100
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VSWFNorm IntFlag / IntEnum fallback
Former-commit-id: f1cc46f208bdceac972409836a238a56966277a4
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2019-08-15 15:19:54 +03:00 |
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Marek Nečada
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4bbdfbfbfc
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Convenience methods in cymaterials
Former-commit-id: dc27285f1d23c0cda3c9d80fe073aafc86f77277
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2019-08-15 14:27:36 +03:00 |
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Marek Nečada
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5a9219a4f6
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Expose single vswf functions to cython.
Former-commit-id: 7fd1183cdab2d6f60b446879a875dab4d673da73
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2019-08-14 11:04:42 +03:00 |
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Marek Nečada
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1bf9c0b44e
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Cython bindings for "pi, tau" functions
Former-commit-id: 74edc5a7a431a190150c4e1cbb3563809c6b9c01
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2019-08-13 17:18:39 +03:00 |
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Marek Nečada
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f62cfbe7a0
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Test whether single vswf and vswf array give the same result
Former-commit-id: ad74493b0f8854cfda302d8c98f2cdc216bc276c
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2019-08-13 14:38:02 +03:00 |
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Marek Nečada
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7a0386086a
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Functions to calculate the R,Q matrices for axially symmetric particles separately.
Former-commit-id: 0861a9014f293153b786b879bb3803d5ee002b56
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2019-08-13 13:30:48 +03:00 |
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Marek Nečada
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4ac2a7b72e
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Fix word in doxygen.
Former-commit-id: 89ec5ba36cfe23b33331984e06b4de386db93338
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2019-08-13 11:27:38 +03:00 |
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Marek Nečada
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2e037550b5
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Build libqpms as shared library.
Former-commit-id: 218d30a8502e5ea5814e4d8e119b750ca93d257f
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2019-08-12 16:33:54 +03:00 |