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c0ec5389e0
WIP polynomials etc.
Marek Nečada
2019-10-29 14:00:09 +0200
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6b5b773d0b
Add uthash.h
Troy D. Hanson & al
2019-10-28 13:37:50 +0200
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57a1206dcc
A new polynomial class with "square root of rationals" coeffs.
Marek Nečada
2019-10-27 09:45:08 +0200
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0c5a38371f
qpq_t ointer mixing for _mul and _div, fix last merge.
Marek Nečada
2019-10-25 21:03:55 +0300
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5f77fd9386
Merge branch 'gmp_integration' of necada:~/repo/qpms into gmp_integration
Marek Nečada
2019-10-25 20:43:46 +0300
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8db97686e5
Polynomial division, bug fixes, enhancements.
Marek Nečada
2019-10-25 20:40:05 +0300
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d6b3951dc2
"Legendroid" data structure
Marek Nečada
2019-10-22 06:42:36 +0300
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b4ac597771
qpq cython wrapper class, bug fixes
Marek Nečada
2019-10-20 21:06:46 +0300
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25d1eced26
qpq_t element assignment functionality
Marek Nečada
2019-10-19 14:34:09 +0300
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a4df0139b9
Polynomials with rational coeffs: basic functionality.
Marek Nečada
2019-10-15 16:30:13 +0300
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3f5aaacbf2
First draft of essential polynomial arithmetic functionality.
Marek Nečada
2019-10-13 18:08:15 +0300
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f62ce5f700
Fix plane wave expansion coeffs.
Marek Nečada
2019-10-13 17:54:48 +0300
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4ca003ec8b
CMake scripts for finding GMP
Marek Nečada
2019-10-09 14:29:38 +0300
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-
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4dd3234b0a
Remove the branch cut at negative real axis in Ewald sum.
Marek Nečada
2019-10-09 13:20:20 +0300
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acff55f396
Extend hardcoded T-matrix similarity tolerance.
Marek Nečada
2019-10-07 15:15:34 +0300
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e7f0e0131f
Basic branch selection functionality for incomplete Γ.
Marek Nečada
2019-10-06 01:30:29 +0300
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2dd9fe2f34
Minor stuff.
Marek Nečada
2019-10-05 20:38:04 +0300
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aa86fcfb08
Expose low-level scalar Ewald sums via cython.
Marek Nečada
2019-10-02 22:07:26 +0300
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2d891be12f
ewald.h cleanup
Marek Nečada
2019-10-02 20:11:25 +0300
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0239a3c9a1
Fix memset size in Mie T-matrix generator.
Marek Nečada
2019-10-02 17:42:37 +0300
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79e6c47f94
Beyn integration contours to pxd
Marek Nečada
2019-10-01 11:52:29 +0300
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c7f2e32ee4
Free unfinished PGens from Ewald sums.
Marek Nečada
2019-10-01 11:26:07 +0300
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7e74cb100c
Experimental speedup by earlier cutoff for Ewald summation.
Marek Nečada
2019-09-30 14:37:28 +0300
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dad170b8fe
Kidney contour basic test
Marek Nečada
2019-09-30 10:54:10 +0300
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f940e62e52
Test and fix the rounded half-ellipse contour..
Marek Nečada
2019-09-30 08:53:57 +0300
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d6084f3264
WIP Alternative integration contour (untested)
Marek Nečada
2019-09-29 22:32:53 +0300
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2e7b925be2
WIP trying to fix the half-ellipse contour.
Marek Nečada
2019-09-26 11:36:41 +0300
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b3c3eeb2a2
Fix derivatives in integration contours.
Marek Nečada
2019-09-26 10:06:31 +0300
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2fcc6282fa
"Half-ellipse" integration contour.
Marek Nečada
2019-09-26 07:30:27 +0300
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67f93e461c
Ewald translation calculator function using base specs.
Marek Nečada
2019-09-23 08:59:18 +0300
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6445c3523e
Experiments with Beyn's algorithm and singularities.
Marek Nečada
2019-09-17 15:14:09 +0300
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42931eb0a0
Additional test to Beyn solver (Example 4.9).
Marek Nečada
2019-09-17 14:11:23 +0300
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bd0b8a83e9
Beyn: functionality for testing if points are inside contour.
Marek Nečada
2019-09-17 07:58:59 +0300
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9d0f910bba
Some comments to beyn.c
Marek Nečada
2019-09-17 07:17:04 +0300
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e8a2426b55
Handle k->0 in Ewald sum.
Marek Nečada
2019-09-16 12:37:32 +0300
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2762ada49c
Beyn: keep singular values from rank test
Marek Nečada
2019-09-16 08:02:31 +0300
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ecbf5b10d4
Fix infinite loop in empty lattice modes generation
Marek Nečada
2019-09-13 16:20:39 +0300
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b45bdcd49a
Bug fixes mostly in lattice generators.
Marek Nečada
2019-09-13 15:39:44 +0300
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e910de936e
2d empty lattice modes pxd; fix a corner case.
Marek Nečada
2019-09-13 13:18:23 +0300
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0f03509dde
Mode frequency calculations for empty lattices.
Marek Nečada
2019-09-13 11:52:56 +0300
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11aa48d2da
Beyn minor fixes, cleaner API.
Marek Nečada
2019-09-10 14:54:08 +0300
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3bc59096bc
Public beyn_result_gsl_t -> beyn_result_gsl_t convertor.
Marek Nečada
2019-09-10 14:04:56 +0300
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cbf039710f
cdefs for beyn.h
Marek Nečada
2019-09-09 20:50:31 +0300
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08b8a1a315
WIP generate 3D lattices
latticegen3d
Marek Nečada
2019-09-07 12:39:17 +0300
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-
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658c564a0c
Some 3D lattice functionality, little refactoring.
Marek Nečada
2019-09-07 11:23:16 +0300
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1585c48071
Incremental cleanup.
Marek Nečada
2019-09-02 13:31:22 +0300
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5dc2a44cdd
Incremental cleanup and style assimilation
Marek Nečada
2019-09-02 12:25:26 +0300
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c632ee36c5
QPMS_UNLIKELY macros to qpms_error.h
Marek Nečada
2019-09-02 12:03:27 +0300
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cabe764640
Implement an API for Beyn's algorithm with standard C arrays.
Marek Nečada
2019-09-02 11:57:25 +0300
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bc703cbcca
Beyn pure C api headers
Marek Nečada
2019-09-02 10:33:07 +0300
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537c4b2d37
Beyn solver new API
Marek Nečada
2019-08-29 17:18:59 +0300
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4c21fde628
WIP rewriting Beyn API
Marek Nečada
2019-08-28 15:12:42 +0300
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1aa9890155
Reindend, add also the 'coarse values' calculation
Marek Nečada
2019-08-27 20:41:30 +0300
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5471367aad
Finally reproduce Reid's implementation.
Marek Nečada
2019-08-27 20:10:28 +0300
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00e3a9ce09
Fix test matrix definition
Marek Nečada
2019-08-27 19:06:37 +0300
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04ff84b5c9
Alternative titles.
Marek Nečada
2019-08-27 10:30:16 +0300
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4d4ab9936b
Variable Lovász condition parameter
Marek Nečada
2019-08-25 21:17:23 +0300
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953132e4c9
Force doubles in the LLL-reduced array in numpy.
Marek Nečada
2019-08-25 19:27:45 +0300
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0ea3510575
Lenstra-Lenstra-Lovász lattice basis reduction.
Marek Nečada
2019-08-25 18:58:05 +0300
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c0c44c11b6
Add some excessive checks for matrix inversion results
Marek Nečada
2019-08-23 20:09:21 +0300
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51fa6f1dd6
Try to reproduce Reid's RNG
Marek Nečada
2019-08-23 15:05:23 +0300
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93d34c9830
Probably wrong target to zgetrs
Marek Nečada
2019-08-23 14:30:39 +0300
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8666657fcc
Beyn fix memory leaks and swapped arguments in zgeev.
Marek Nečada
2019-08-23 13:48:28 +0300
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e898fd5ad8
tbeyn does not crash anymore but the result is wrong
Marek Nečada
2019-08-23 12:20:51 +0300
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26e7d9acee
Merge branch 'master' into beyn_without_unitcell
Marek Nečada
2019-08-23 11:27:01 +0300
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-
-
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947f499bbf
Print the argument return value in QPMS_ENSURE_SUCCESS.
Marek Nečada
2019-08-23 11:26:22 +0300
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142d97d484
Beyn's method test (fails)
Marek Nečada
2019-08-23 11:16:46 +0300
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32c9c2a434
qpms_error.h remove implicit dependency on stdbool.h
Marek Nečada
2019-08-23 09:40:45 +0300
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cf9892279d
Beyn ready for testing
Marek Nečada
2019-08-23 09:34:19 +0300
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6e875d65ae
WIP Dealing with the Beyn clusterfuck (compiles now).
Marek Nečada
2019-08-22 17:02:53 +0300
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b52942a5e5
WIP real->complex cleanup in beyn algorithm.
Marek Nečada
2019-08-21 13:05:17 +0300
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3fb9f23af5
Add Beyn eigenmode solver
Kristian Arjas
2019-08-21 11:55:05 +0300
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cbbdec5963
Fix test for k != 0
Marek Nečada
2019-08-21 11:42:24 +0300
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d91fdc2e80
More scalar Ewald tests (some pass!)
Marek Nečada
2019-08-21 11:26:28 +0300
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ad3d2d8071
Fix incomplete gamma via continued fractions for complex z.
Marek Nečada
2019-08-20 17:29:57 +0300
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ce905eb0a4
Expose my incomplete gamma function in Python.
Marek Nečada
2019-08-20 12:46:28 +0300
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baad6b75aa
Briefer test output
Marek Nečada
2019-08-20 08:52:23 +0300
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a66f04a8c2
Continuos fractions for incomplete gamma, extending the domain a bit.
Marek Nečada
2019-08-19 16:54:44 +0300
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20fac6036f
Complex wave number for ewald sum (failing) + unit test.
Marek Nečada
2019-08-19 15:10:39 +0300
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02e4e9c308
Some doxygen to ewald.h
Marek Nečada
2019-08-19 12:02:22 +0300
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a20a5ac067
ewald translations legacy code removal
Marek Nečada
2019-08-19 10:55:45 +0300
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a5604bf0bc
Merge branch 'master' into translations_cleanup
Marek Nečada
2019-08-19 10:29:31 +0300
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e971aa0e79
Fix single translation coefficients.
Marek Nečada
2019-08-19 10:23:59 +0300
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9ea487df84
translations.c return accidentally deleted function,
Marek Nečada
2019-08-19 09:29:14 +0300
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8b9c5a794c
translations legacy code removal
Marek Nečada
2019-08-19 08:01:59 +0300
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0b0ebf2bce
Start modifying the tests structure.
Marek Nečada
2019-08-17 13:57:24 +0300
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5820de30ef
Ewald.h doxygen
Marek Nečada
2019-08-17 13:31:38 +0300
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7b8e7d39e5
Branch hints in frequently used inlines
Marek Nečada
2019-08-17 11:58:10 +0300
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3e427f35ae
Additional notes for axially symmetric particles
Marek Nečada
2019-08-16 12:57:40 +0300
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3e6f004605
Compiler warnings, doxygen fixes
Marek Nečada
2019-08-16 11:17:59 +0300
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03188d43f7
Fix the integrand for axially symmetric T-matrices.
Marek Nečada
2019-08-16 10:05:23 +0300
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5e2dcf2100
VSWFNorm IntFlag / IntEnum fallback
Marek Nečada
2019-08-15 15:19:54 +0300
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4bbdfbfbfc
Convenience methods in cymaterials
Marek Nečada
2019-08-15 14:20:47 +0300
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5a9219a4f6
Expose single vswf functions to cython.
Marek Nečada
2019-08-14 11:04:42 +0300
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1bf9c0b44e
Cython bindings for "pi, tau" functions
Marek Nečada
2019-08-13 17:18:39 +0300
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f62cfbe7a0
Test whether single vswf and vswf array give the same result
Marek Nečada
2019-08-13 14:38:02 +0300
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7a0386086a
Functions to calculate the R,Q matrices for axially symmetric particles separately.
Marek Nečada
2019-08-13 13:30:48 +0300
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4ac2a7b72e
Fix word in doxygen.
Marek Nečada
2019-08-13 11:27:38 +0300
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2e037550b5
Build libqpms as shared library.
Marek Nečada
2019-08-12 16:33:54 +0300
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82337ca07f
WIP T-matrix generators debugging
Marek Nečada
2019-08-12 11:18:25 +0300