Marek Nečada
|
4dd3234b0a
|
Remove the branch cut at negative real axis in Ewald sum.
Move the cut to the negative imaginary axis instead.
Also update comments.
Former-commit-id: a70e6a4db0ac33836d672d9ee2356ea19a899a30
|
2019-10-09 13:20:20 +03:00 |
|
Marek Nečada
|
acff55f396
|
Extend hardcoded T-matrix similarity tolerance.
Also some cython functions->properties.
Former-commit-id: 4a0605b1cf8b857c681f194a475ff3f10e7dfe71
|
2019-10-07 15:15:34 +03:00 |
|
Marek Nečada
|
e7f0e0131f
|
Basic branch selection functionality for incomplete Γ.
No modifications with effects on Ewald sums done yet.
Former-commit-id: e362341713ce306482386b9e6f2a48c336fad7a1
|
2019-10-06 01:30:29 +03:00 |
|
Marek Nečada
|
2dd9fe2f34
|
Minor stuff.
Former-commit-id: c0de35f6a52ce4cc4f34cf4b417364d92e8dac4d
|
2019-10-05 20:38:04 +03:00 |
|
Marek Nečada
|
aa86fcfb08
|
Expose low-level scalar Ewald sums via cython.
Former-commit-id: 9910decff1e8e91c802f0f8d10573ec430dda468
|
2019-10-03 00:52:14 +03:00 |
|
Marek Nečada
|
2d891be12f
|
ewald.h cleanup
Former-commit-id: c02360cfa9df1dac06897883115cafc98a912107
|
2019-10-02 20:11:25 +03:00 |
|
Marek Nečada
|
0239a3c9a1
|
Fix memset size in Mie T-matrix generator.
Former-commit-id: 244dad82dec42fdc1e08cc12205e373711465622
|
2019-10-02 17:53:01 +03:00 |
|
Marek Nečada
|
c7f2e32ee4
|
Free unfinished PGens from Ewald sums.
Also replace some bare `if (xxx) abort();` with
`QPMS_ENSURE_SUCCESS(xxx)`.
Former-commit-id: d4712292fe0f9fb397cf3a490131bcb37d542fa6
|
2019-10-01 11:29:15 +03:00 |
|
Marek Nečada
|
7e74cb100c
|
Experimental speedup by earlier cutoff for Ewald summation.
TODO check whether PGen is properly destroyed
Former-commit-id: db2c64292b9c1bd80e97255bf71e570385b409a4
|
2019-09-30 17:57:06 +03:00 |
|
Marek Nečada
|
67f93e461c
|
Ewald translation calculator function using base specs.
Former-commit-id: d49880caa280cc089fa688d0cdeccb95db7cb64b
|
2019-09-23 08:59:18 +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
|
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
|
658c564a0c
|
Some 3D lattice functionality, little refactoring.
Former-commit-id: 8e6572c7352e3b9a75bc13585d688f1c72d378e1
|
2019-09-07 11:23:16 +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
|
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
|
947f499bbf
|
Print the argument return value in QPMS_ENSURE_SUCCESS.
Former-commit-id: 2aa9742b6bb1a10b963a197419af7ef57b7999c1
|
2019-08-23 11:26:22 +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
|
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 |
|
Marek Nečada
|
5820de30ef
|
Ewald.h doxygen
Former-commit-id: b89871b97680d5262637e7c1af2186c1d1307a84
|
2019-08-17 13:31:38 +03:00 |
|
Marek Nečada
|
7b8e7d39e5
|
Branch hints in frequently used inlines
Former-commit-id: aff247930de71d535e5cb455828f993b244053a2
|
2019-08-17 12:02:08 +03:00 |
|
Marek Nečada
|
3e427f35ae
|
Additional notes for axially symmetric particles
Former-commit-id: 989527ac17b0daea7abb3b15a71ae66d9ae224bf
|
2019-08-16 12:57:40 +03:00 |
|
Marek Nečada
|
3e6f004605
|
Compiler warnings, doxygen fixes
Former-commit-id: 2686ab2db0a61327db1ef5ce3799f3e88fea0f49
|
2019-08-16 11:17:59 +03:00 |
|
Marek Nečada
|
03188d43f7
|
Fix the integrand for axially symmetric T-matrices.
Forgotten jacobian, FFS.
Former-commit-id: f9a409bd1f5af78bb460d4bd3a9aadf78cebc2a7
|
2019-08-16 10:05:23 +03:00 |
|
Marek Nečada
|
5e2dcf2100
|
VSWFNorm IntFlag / IntEnum fallback
Former-commit-id: f1cc46f208bdceac972409836a238a56966277a4
|
2019-08-15 15:19:54 +03:00 |
|
Marek Nečada
|
4bbdfbfbfc
|
Convenience methods in cymaterials
Former-commit-id: dc27285f1d23c0cda3c9d80fe073aafc86f77277
|
2019-08-15 14:27:36 +03:00 |
|
Marek Nečada
|
5a9219a4f6
|
Expose single vswf functions to cython.
Former-commit-id: 7fd1183cdab2d6f60b446879a875dab4d673da73
|
2019-08-14 11:04:42 +03:00 |
|
Marek Nečada
|
1bf9c0b44e
|
Cython bindings for "pi, tau" functions
Former-commit-id: 74edc5a7a431a190150c4e1cbb3563809c6b9c01
|
2019-08-13 17:18:39 +03:00 |
|
Marek Nečada
|
f62cfbe7a0
|
Test whether single vswf and vswf array give the same result
Former-commit-id: ad74493b0f8854cfda302d8c98f2cdc216bc276c
|
2019-08-13 14:38:02 +03:00 |
|
Marek Nečada
|
7a0386086a
|
Functions to calculate the R,Q matrices for axially symmetric particles separately.
Former-commit-id: 0861a9014f293153b786b879bb3803d5ee002b56
|
2019-08-13 13:30:48 +03:00 |
|
Marek Nečada
|
4ac2a7b72e
|
Fix word in doxygen.
Former-commit-id: 89ec5ba36cfe23b33331984e06b4de386db93338
|
2019-08-13 11:27:38 +03:00 |
|
Marek Nečada
|
2e037550b5
|
Build libqpms as shared library.
Former-commit-id: 218d30a8502e5ea5814e4d8e119b750ca93d257f
|
2019-08-12 16:33:54 +03:00 |
|
Marek Nečada
|
82337ca07f
|
WIP T-matrix generators debugging
Former-commit-id: e3708a28b1fe62522fa45527452d2aa1c37bca49
|
2019-08-12 11:18:25 +03:00 |