6445c3523e
Experiments with Beyn's algorithm and singularities.
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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
42931eb0a0
Additional test to Beyn solver (Example 4.9).
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Former-commit-id: 63a78fa09fd3875e5d10b6b4fb6eea72010cfcee
2019-09-17 14:11:23 +03:00
bd0b8a83e9
Beyn: functionality for testing if points are inside contour.
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Former-commit-id: 5c88b6e9aa4308201871a9b19c8d20c04b93a718
2019-09-17 07:58:59 +03:00
9d0f910bba
Some comments to beyn.c
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Former-commit-id: cc756b3343a9290f3b3b8c79cec75559b11a952f
2019-09-17 07:17:04 +03:00
2762ada49c
Beyn: keep singular values from rank test
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Former-commit-id: eb82025e460575335f9d6e3d9acb3cfdfe8867f0
2019-09-16 08:02:31 +03:00
11aa48d2da
Beyn minor fixes, cleaner API.
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Former-commit-id: 44d7147a14194a7b8e5a66552dd3855029b9e370
2019-09-10 14:54:08 +03:00
3bc59096bc
Public beyn_result_gsl_t -> beyn_result_gsl_t convertor.
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Former-commit-id: 56fb70384c20b93dbc8b119c6b5b4128ce4fcaf9
2019-09-10 14:04:56 +03:00
cbf039710f
cdefs for beyn.h
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Former-commit-id: 846f26b8a6e1a2829c379b1bcc9edae1a0965b26
2019-09-09 20:50:31 +03:00
1585c48071
Incremental cleanup.
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Former-commit-id: d4d8d41a2edac7cf8ac341cce46e3c976ef68c5e
2019-09-02 13:43:46 +03:00
5dc2a44cdd
Incremental cleanup and style assimilation
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Former-commit-id: eb31cf03313edbad256331592afa4c6d212feab8
2019-09-02 12:31:37 +03:00
cabe764640
Implement an API for Beyn's algorithm with standard C arrays.
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Former-commit-id: 645490de63f802c8a41f3bad1845cd29e0c3d823
2019-09-02 11:57:56 +03:00
bc703cbcca
Beyn pure C api headers
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Former-commit-id: 0e1da18ccf552d496eed4a073611c57d5e9619ba
2019-09-02 10:33:07 +03:00
537c4b2d37
Beyn solver new API
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Former-commit-id: cb242415d66acebd42aa6c12ef74696f5dea85de
2019-08-31 14:35:56 +03:00
4c21fde628
WIP rewriting Beyn API
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Former-commit-id: 0579928c1aac32ec82db0364080d46fcce7721a6
2019-08-28 15:12:42 +03:00
1aa9890155
Reindend, add also the 'coarse values' calculation
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Former-commit-id: 2dc73a2875823cae187585787bd4d344dea232f9
2019-08-27 20:41:30 +03:00
5471367aad
Finally reproduce Reid's implementation.
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Former-commit-id: 215088edddd93c79b4a4ad3ee9836595bcc69167
2019-08-27 20:10:28 +03:00
00e3a9ce09
Fix test matrix definition
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Former-commit-id: f5874c5cf632b9fe5c561154370a3460fc1c7b46
2019-08-27 19:06:37 +03:00
c0c44c11b6
Add some excessive checks for matrix inversion results
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Former-commit-id: 229cdff48f8103cbadf00bbc92c11fa19e51a4b0
2019-08-23 20:09:21 +03:00
51fa6f1dd6
Try to reproduce Reid's RNG
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Former-commit-id: b607cb40b9ac77970e0c4250cf033d22554de815
2019-08-23 15:05:23 +03:00
93d34c9830
Probably wrong target to zgetrs
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Former-commit-id: 4d22626121778d77d61f4fa9f600fc87b91c1bec
2019-08-23 14:31:14 +03:00
8666657fcc
Beyn fix memory leaks and swapped arguments in zgeev.
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Former-commit-id: a63ba1bbd2ce50f664a419e4742fcead2fb355e1
2019-08-23 13:49:32 +03:00
e898fd5ad8
tbeyn does not crash anymore but the result is wrong
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Former-commit-id: 3288074674f1a3f61b43d905a96c865fa32faccd
2019-08-23 12:20:51 +03:00
26e7d9acee
Merge branch 'master' into beyn_without_unitcell
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Former-commit-id: ee56e6d72638fe01117d50fd78bd1eeeabf5f518
2019-08-23 11:27:01 +03:00
947f499bbf
Print the argument return value in QPMS_ENSURE_SUCCESS.
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Former-commit-id: 2aa9742b6bb1a10b963a197419af7ef57b7999c1
2019-08-23 11:26:22 +03:00
142d97d484
Beyn's method test (fails)
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Former-commit-id: 535a94df45d1ddd6b23b6c94a8167ca969389099
2019-08-23 11:16:46 +03:00
32c9c2a434
qpms_error.h remove implicit dependency on stdbool.h
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Former-commit-id: 8d6d3f0cf0e33e8f9401559625f7b3261d140cd6
2019-08-23 09:40:45 +03:00
cf9892279d
Beyn ready for testing
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Former-commit-id: b058f06d1f4d80e366c2375764b0c7a0f252568b
2019-08-23 09:34:19 +03:00
6e875d65ae
WIP Dealing with the Beyn clusterfuck (compiles now).
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TODO inverse M -matrix
Former-commit-id: eb2a37128c04c10406dc65eca7d47152b4d93db9
2019-08-22 17:02:53 +03:00
b52942a5e5
WIP real->complex cleanup in beyn algorithm.
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Former-commit-id: 2cfe5b0c87924ab04255d36e46ee3c603f25ba6d
2019-08-21 13:05:17 +03:00
3fb9f23af5
Add Beyn eigenmode solver
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(cherry picked from commit 9ed6ee319a1d0b295ccbd690e7c0c0261111b456 [formerly 896e706a2da075c178b7e736761bdc01e4ea9800])
Former-commit-id: 6de5c14d48258b6105b76eb4fab5b555284caaa4
2019-08-21 11:57:22 +03:00
cbbdec5963
Fix test for k != 0
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Former-commit-id: e7a3099c4a28631129c07f82a71abc3edacfb7e5
2019-08-21 11:42:24 +03:00
d91fdc2e80
More scalar Ewald tests (some pass!)
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Former-commit-id: 85c3f542c317a7f7bb94bf8833a840d5cf82288d
2019-08-21 11:26:28 +03:00
ad3d2d8071
Fix incomplete gamma via continued fractions for complex z.
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Former-commit-id: 13ae61b958919bfcca2d3828bc7d38b0b6cbf77b
2019-08-20 17:31:43 +03:00
ce905eb0a4
Expose my incomplete gamma function in Python.
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More sophisticated GSL error handling
Former-commit-id: 4233d01d8aff64b00502c55cb50b54faa5c25ceb
2019-08-20 12:46:28 +03:00
baad6b75aa
Briefer test output
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Former-commit-id: 31ebc020e2de9578cef908ff9d3b42cf7fcb6451
2019-08-20 08:52:23 +03:00
a66f04a8c2
Continuos fractions for incomplete gamma, extending the domain a bit.
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Former-commit-id: 838b5bd6c34d37348253aa21f45bb7601c8a6abb
2019-08-19 16:54:44 +03:00
20fac6036f
Complex wave number for ewald sum (failing) + unit test.
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Former-commit-id: a6c5e566028602ecd1047bc0b44677a4eeae3046
2019-08-19 15:10:39 +03:00
02e4e9c308
Some doxygen to ewald.h
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Former-commit-id: aa68c91e6e6546b36a73c1c315e074f74905657e
2019-08-19 12:02:22 +03:00
a20a5ac067
ewald translations legacy code removal
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Former-commit-id: da74041f5105d6b3a3f9fe3ddaa7306e973bd440
2019-08-19 10:55:45 +03:00
a5604bf0bc
Merge branch 'master' into translations_cleanup
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Former-commit-id: 80437d49a0bea655e3560aabc5a7b6dc7061aedc
2019-08-19 10:29:31 +03:00
e971aa0e79
Fix single translation coefficients.
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Former-commit-id: 1c045d994bb46ed16350d294bacc9203854cd2ea
2019-08-19 10:29:02 +03:00
9ea487df84
translations.c return accidentally deleted function,
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remove more legacy stuff
Former-commit-id: 6bb2033234a893e85a0242c10156a700bd2d3ceb
2019-08-19 09:29:14 +03:00
8b9c5a794c
translations legacy code removal
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Former-commit-id: 98e883f9c7586208623acca05585f747dc57f911
2019-08-19 08:01:59 +03:00
0b0ebf2bce
Start modifying the tests structure.
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Former-commit-id: 2e95b72fb3258fddd75a3b9c2ab23aa53b0a9d9a
2019-08-17 13:57:24 +03:00
5820de30ef
Ewald.h doxygen
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Former-commit-id: b89871b97680d5262637e7c1af2186c1d1307a84
2019-08-17 13:31:38 +03:00
7b8e7d39e5
Branch hints in frequently used inlines
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Former-commit-id: aff247930de71d535e5cb455828f993b244053a2
2019-08-17 12:02:08 +03:00
3e427f35ae
Additional notes for axially symmetric particles
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Former-commit-id: 989527ac17b0daea7abb3b15a71ae66d9ae224bf
2019-08-16 12:57:40 +03:00
3e6f004605
Compiler warnings, doxygen fixes
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Former-commit-id: 2686ab2db0a61327db1ef5ce3799f3e88fea0f49
2019-08-16 11:17:59 +03:00
03188d43f7
Fix the integrand for axially symmetric T-matrices.
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Forgotten jacobian, FFS.
Former-commit-id: f9a409bd1f5af78bb460d4bd3a9aadf78cebc2a7
2019-08-16 10:05:23 +03:00
5e2dcf2100
VSWFNorm IntFlag / IntEnum fallback
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Former-commit-id: f1cc46f208bdceac972409836a238a56966277a4
2019-08-15 15:19:54 +03:00
Marek Nečada
Kristian Arjas