6f66ddc845
Additional symmetries
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Former-commit-id: dce9d43c0bfbce7166e6365f40591fbf5f9b4873
2019-03-12 21:38:37 +02:00
a2e61ad67a
Particle position dump
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Former-commit-id: 75cfdfff52531da4d9e52a162774fe59d2595a1b
2019-03-12 18:32:38 +02:00
8efd582daf
Fix offset incrementation on the diagonal.
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Solves the translation matrix projection discrepancy.
Former-commit-id: 7bb7dbba47aa5ac3df32177098c096a86d2879fd
2019-03-12 15:44:07 +02:00
b51b3bd7d0
Merge branch 'master' into fixprojs
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Former-commit-id: 6bbae4be09579d1932586ee3f4f616c757af7820
2019-03-12 13:11:22 +02:00
1033daf52e
Fix lMax_L in qpms_vswf_set_spec_from_lMax().
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Former-commit-id: b864e059aaf1108954c3f1a0d343f51450b05284
2019-03-12 13:08:30 +02:00
d63dd2cae2
Fix projections - work in progress
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Former-commit-id: f2f6d3d762fc7c2d728af0cf31c1229ed8db1b1c
2019-03-12 07:01:10 +00:00
431c8b9933
Fix orbit building
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Former-commit-id: eff33b43a5f7f4994e56cd2ef83be5fe10db6cfb
2019-03-11 22:46:16 +00:00
04a181ae9b
Fix quaternion-based rotation.
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Former-commit-id: 3614adf2aa69752a529b20f73c29e7f8994826ae
2019-03-11 21:32:33 +00:00
99db225b02
Debug dump projectors and action matrices.
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Former-commit-id: d2c573b98bc06f019a28d462eac4459771889932
2019-03-11 14:38:17 +00:00
297995690a
Handling of zero packed orbit sizes.
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Former-commit-id: 75ff318b4c91477a22f0fcee30fcb8812de1faba
2019-03-10 16:53:01 +00:00
f30c5a88d9
Fix T-matrix duplicity remapping
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Former-commit-id: de1be4e08dabce7ccb404f5f8dfd288c6bac1741
2019-03-10 15:37:39 +00:00
20af81440f
Fixes in vswf spec.
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Former-commit-id: 87e0dbd73de266801c5bed7e8d3e43aaf4a0ed0e
2019-03-10 13:52:12 +00:00
53109e6d92
Fix realloc pointer shifts
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Former-commit-id: 93631e50597ccde2f179fcd55e9b14c5bf85d3e9
2019-03-10 12:43:35 +00:00
a51236e058
Fix a memcpy size, new crashing realloc macro.
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Former-commit-id: 87a5690ad2297f4062f1f8349838440599f7172e
2019-03-09 18:47:05 +00:00
cce4f15eac
some tests and calculate the translation matrix separately; still not working
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Maybe the problem is with the x-y flips?
Former-commit-id: 6a1ffe4c9697c7ece90a359211ee4a82b2dbb538
2019-03-09 12:29:43 +00:00
e265c01760
Scatsys full mode problem matrix; wrong result.
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Former-commit-id: d09e4210fa543068e0e6a7df80a1bef134e60ca7
2019-03-09 10:59:26 +00:00
c2bdb09f7d
Translation coefficients with uvswfi
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Former-commit-id: fa02700e9b2dd10a85e1d15c533448f63efb9b93
2019-03-09 07:39:11 +00:00
fb706b07ae
Convenience function to create the 'usual' bspecs.
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Former-commit-id: ce4e1cbab81ef251ad44cb58d765b6b19a0179aa
2019-03-09 00:36:22 +00:00
4dfb358de6
Matrix symmetry-adapted base packing/unpacking fixed.
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Former-commit-id: 4993a41082c5f14e6b8cc3adb41ceab902c16820
2019-03-09 00:15:48 +00:00
5f3759bdb3
ss matrix projections and unpacking (Broken)
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Former-commit-id: 58ed4c05f8b042feb896d5dd49f5d3a5616e979f
2019-03-08 13:39:37 +00:00
fd13756b86
ss vector packing and unpacking fixed and cython-wrapped.
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Former-commit-id: ab1002b4c7b6fa4b7c14520d689cd7cd030b84e0
2019-03-08 11:10:33 +00:00
50581dcf7e
Matrix symmetry adapted base packing and unpacking (untested).
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Former-commit-id: 77724b4fc6763e1591318f42a95ef2e7fbfcbcb9
2019-03-08 08:53:59 +00:00
52b69fb00b
Scatsystem matrix packing unfinished
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Former-commit-id: 9f9806529550b3e109d284395ce53c61df648d7e
2019-03-07 13:08:11 +02:00
519e60a501
Scatsystem: excitation coefficient vector irrep packing and unpacking.
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Former-commit-id: 5a4b983f43a0e429a8d92eff435d763358a3ad99
2019-03-07 12:17:06 +02:00
0053eeb953
Numbering the orbits of the same type.
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Former-commit-id: 2911e40cbf8fce5f7fe6fe5c26fccdfb1fad5357
2019-03-07 07:42:49 +00:00
a4b0022305
scatsystem.h new prototype drafts and misc.
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Former-commit-id: 954f4f82f5fc3932425b696b05dcab88a5566479
2019-03-07 07:10:43 +00:00
0fb36f1e4c
Group generation made deterministic.
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Former-commit-id: ee2f92e71427c11348e8fad8c8cee2dfa16fd3d8
2019-03-07 05:09:44 +00:00
1d77d76b80
scatsys orbit base generator
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Former-commit-id: 098c02bbab329ef54c081eda868fc16eda3c8821
2019-03-07 04:46:19 +00:00
d07d37c5af
Symmetrisation of the interpolated T-matrix
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Former-commit-id: 1a136d1ea8e39aeee418daba0c944410fb7d786f
2019-03-06 21:58:50 +00:00
04923d0b45
T-matrix reading function fix wrong nesting & other fixes.
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Former-commit-id: e0a81510ec618fcc554f5ca9eee0b0a006970414
2019-03-06 21:29:19 +00:00
48758c42d6
cython wrapper for C T-matrix interpolator.
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Former-commit-id: 3c2c27b504d354513c0dd10b767f265fa6bd19c1
2019-03-06 20:15:27 +00:00
a339af5c09
Roundoff error cleaning for zeros.
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Former-commit-id: 1efdd13b64022a93ae396bbc92345917de014ed8
2019-03-06 17:50:11 +00:00
d2f124ab12
Symmetrisation of tmdata.
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Former-commit-id: 504457d0259578a8eaa8db720c0f1995c5bbc6cc
2019-03-06 17:32:46 +00:00
d5652b126e
Provisional error messages at tmatrix_io.c
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Former-commit-id: c5a7c4f904f3f6f63b6bc76c7d498f3990838ac1
2019-03-06 05:53:58 +00:00
c86376d435
Provisional error messages with abort().
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Former-commit-id: eba2bd11556cb9f39fb344f9867102f29229455d
2019-03-06 05:46:41 +00:00
12e0188c6d
C function to read scuff t-matrices.
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Former-commit-id: 26a01ac3f9aaf5a7dce2b0cb2a722a713af2f63c
2019-03-05 16:13:06 +00:00
efba713d2c
Per-orbit irrep projectors.
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Former-commit-id: 7d66eb721b7f75a99c29a054f0fd60520eb28722
2019-03-03 23:35:06 +00:00
fb29736936
Per-orbit Wigner matrix representation of a group action.
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Former-commit-id: 25eaffa683bae1056a07c8e5667365f461388b5e
2019-03-03 23:00:20 +00:00
b55c0bd8fa
Extend the role of qpms_ss_orbit_type_t::action.
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Former-commit-id: 8be18f9d502689673aaf4e44806c93fc462e2014
2019-03-03 22:38:00 +00:00
a71fa23a75
ScatteringSystem: show particles
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Former-commit-id: 3a8397dd3dc1f459df3edd79a8c79d0ed2c4d90b
2019-03-03 01:39:10 +00:00
97843e2a3a
ScatteringSystem constructor and destructor now run without crashing.
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Former-commit-id: ada6d5862be9226a467a7dafe2b9f197d3b67f69
2019-03-03 01:22:13 +00:00
f785c7de29
Avoid NULL dereference in free()
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Former-commit-id: d257e5a0bfde5c4f6a6d7380eace24feba518b06
2019-03-03 00:43:40 +00:00
8afa775428
Misc fixes.
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Former-commit-id: 36525fd6445d1bd19ffbd803644f8ddaada07be7
2019-03-03 00:30:12 +00:00
59cf2e0778
Basic Python wrapper of qpms_scatsystem_t
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Former-commit-id: e12b21cd5219f7a995c228de8758ef58498ac987
2019-03-03 00:05:24 +00:00
94b6412a21
Fix group C source generation; hard-coded trivial group.
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Former-commit-id: b4f34619766c728978db7104be02f1663f809506
2019-03-02 21:51:49 +00:00
786a4f9906
FinitePointGroup constructor fixes
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Former-commit-id: f5f28af66e333b7378fbd5580dc07a165b43ced5
2019-03-02 20:18:38 +00:00
0142760061
Fix FinitePointGroup constructor
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Former-commit-id: 708bf7b842fed97609f7b365e1889e4c243e0da8
2019-03-02 21:43:11 +02:00
fdaeabf90b
Cython wrapper over qpms_finite_group_t.
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Former-commit-id: 259520e6cb0681d0bd9fd5863be3bb4b6b7237a9
2019-03-02 19:34:46 +00:00
f976a80894
symmetries.py: Forgotten class renames from qpms_c.pyx
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Former-commit-id: c5d64780f618ce0119597da5fb00182727e70732
2019-03-02 18:22:29 +00:00
776f07eb06
Remove an accidentally pasted line.
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Former-commit-id: 001a4b236d7f406e8a0f8c889e285d5d767e5417
2019-03-02 15:54:48 +00:00
e8c2250e60
Writing down some plans on abstract t-matrices / particles.
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Former-commit-id: 83722142c0b53f995c61f53a3c58320491b27843
2019-03-02 05:29:50 +00:00
ebba5a0ed6
Implement basic qpms_particle_t cython wrapper.
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Former-commit-id: f91110e6195a2bd2bed27c615673003d95cc764e
2019-03-01 17:39:42 +02:00
a5924cf548
Transparent indexing for TCMatrix
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Former-commit-id: 8fa13d88fa4fba4a8114fb3ffe7be1189d5d4453
2019-03-01 17:01:47 +02:00
b148f4a527
Rename (at least for now) cdef class TMatrix to CTMatrix to avoid
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conflicts.
Former-commit-id: 6c7b7f6023838543a265b7189a1a805d73d7bf36
2019-03-01 16:40:35 +02:00
290a6be670
Making some important enums available in python as python enums.
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Former-commit-id: 1257739451040f557e896a06747af8e383b797ff
2019-03-01 14:55:59 +02:00
833e82ab5b
Fixes to cython wrappers
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Former-commit-id: 4598958f0c4bdc3262f71ce3e85467f5b07eee96
2019-03-01 14:44:00 +02:00
862cacf4b2
Declarations "of intention" in scatsystem.h
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Former-commit-id: 9972988f811e6f1d17d1f9cda2d799a89d631ddd
2019-03-01 12:36:11 +02:00
db7d4314ae
ss constructor: otspace realloc
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Former-commit-id: 0c534b05f4bb85ec7226251e3e350d69744ec359
2019-03-01 05:35:26 +00:00
a8488cf18a
Working on the wrappers.
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Former-commit-id: b957673da9dfcff41c76212de92ee788d7ab844a
2019-02-28 15:51:06 +02:00
97ec91da03
Class dummies for wrapping the scatsys code
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Former-commit-id: d88e0f576823a606f709e1f91ba39dfbe98ff5ba
2019-02-28 13:38:00 +02:00
491b795845
Class names to CapWords.
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Former-commit-id: f61fd0ddf80f5ab38b13935142a7365244497182
2019-02-28 12:21:29 +02:00
ff79fb950a
qpms_scatsystem_t constructor done, untested.
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Former-commit-id: c4ac2f33b354d435b985d43762716e7149dc57e8
2019-02-28 12:09:13 +02:00
ed47640baf
ss: Allocate memory for the orbit information. Orbit building not done yet.
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Former-commit-id: b8b0435bc90f456077e82e5f954644455a3dcc42
2019-02-28 07:31:27 +00:00
3cf5ff44eb
Scatsystem orbit metadata design.
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Former-commit-id: 3e8ecbf9b444de945f6dfdfb0f92aaaecbd554a9
2019-02-27 17:33:46 +02:00
c63ba502ac
Scat system destructor and more metadata.
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Former-commit-id: 68e2075e0ddaf8110c44d1f8d5761c33afc0e814
2019-02-27 14:01:46 +02:00
c51e7b5851
qpms_types.h doxygen update
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Former-commit-id: 79bd4323d54f9f6d751b63d926943a66548e6cbd
2019-02-27 13:31:20 +02:00
4e4da9d6ad
Move some typedefs from groups.h to qpms_types.h
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Former-commit-id: 2618edc301db95bbc383a170a9ad2047ab0275fd
2019-02-27 12:29:19 +02:00
a1d14ca1b8
Typedefs for particle and T-matrix indices.
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Former-commit-id: 797052ad7a82a9f7a7186bcaab0bfea7bb962933
2019-02-27 11:56:12 +02:00
46edafddf7
Restoring the original functionality of zJn with new scipy.
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Former-commit-id: ad4f96885390387cb74c36a7b08a58094e3d62e5
2019-02-27 10:26:37 +02:00
0add6f9428
Update zJn to use new scipy functions for further testing.
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Former-commit-id: 6b301eff9a6cf2f07d265145f54b55c0c74ecbb2
2019-02-27 09:58:58 +02:00
32052fbb98
Update to new scipy spherical Bessel functions.
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Former-commit-id: 128702a831b2e7a2fae6749abef0cd08063bd7db
2019-02-26 15:43:58 +02:00
dd70c60db4
Towards a new scattering system (scatsystem.c compiles, but with some
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warnings).
Former-commit-id: 8e873fa9eeed41d5384aac4844fdebf768063fe8
2019-02-26 15:33:08 +02:00
f5073f8c14
Add group inverse array to qpms_finite_group_t.
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Former-commit-id: 4a61223d430f0c8ee73b2ceee83bbbfe4edc3521
2019-02-26 08:15:03 +02:00
371e8c7ccc
Rotate 3d cartesian vector using the quaternion repre.
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Former-commit-id: 78ef0fa0cf625601f99add34dfe18339ab0f36e4
2019-02-26 06:08:24 +02:00
d4ae25ff81
irot3 to uvswf matrix
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Former-commit-id: cb59876dbdaae144913422b73a121cb48cfd9984
2019-02-26 00:40:41 +02:00
9785327445
Cython wrap qpms_vswf_set_spec_t
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Former-commit-id: b0c253beff2af0eb61495152addd7942c6d092e4
2019-02-25 22:45:09 +02:00
980e281e4d
Fix call arguments at qpms_vswf_irot_elem_from_irot3()
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Former-commit-id: ba1937b78ed4d525ec9e00b722fcb3b8a24e7940
2019-02-25 21:39:20 +02:00
e2722bc866
Move typedef qpms_vswf_set_spec_t to qpms_types.h
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Former-commit-id: c81924f51823c999d91acf005e27105e16f96177
2019-02-25 18:56:37 +02:00
147bed193f
Dense matrix uvswf repre of a general O(3) transformation.
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Former-commit-id: 64cf762991956475bb1a3b208292262fa37f9365
2019-02-25 18:47:23 +02:00
0b8f90db6f
Move typedefs from wigner.h to qpms_types.h; new
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qpms_vswf_irot_elem_from_irot3 fun.
Former-commit-id: 0db6bbaade3993108c7227bfae67f5c22ab9df3e
2019-02-25 18:11:22 +02:00
2c3c860e49
qpms_finite_group_t: rep3d as quaternions, implement C source generators in python.
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Former-commit-id: 87c80500ec541ad59bdbd2f5582358211d359836
2019-02-25 14:21:09 +02:00
f31e800755
Fix to irot3.isclose()
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Former-commit-id: 5628e48141dac6dcc9726da999b6004b6cb445c9
2019-02-25 12:21:38 +02:00
fe3f8e8c88
More versatile irot3 constructor.
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Former-commit-id: 15acc7db9cc7d94de98564cd53235eeda33775ad
2019-02-25 12:13:42 +02:00
94839960b9
Additional functionality and checks to qpms.irot3 and qpms.cquat.
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Former-commit-id: 46b74df1c507ddf876f036ac5e8b09dedcd19c42
2019-02-25 11:45:46 +02:00
799fb5f09a
C string representation methods for python wrappers.
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Former-commit-id: a4f7cb22524a4b154322049027dba0fd33dcf6cb
2019-02-25 10:35:05 +02:00
efaf3211e4
Quaternion + determinant representation of improper rotations.
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Former-commit-id: fbc101d997ae85565584a3f0ea9c583360fbabec
2019-02-25 09:52:23 +02:00
e6d0936842
Fix exp of a real quaternion
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Former-commit-id: 2bd5c22c3690330e3881bd509bf4070cf2a21015
2019-02-25 05:13:59 +00:00
d11ce9e8ee
Fix logarithm of a real quaternion
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Former-commit-id: a82a1cd462014e7eeadc127061328b45f1e00ec2
2019-02-25 05:11:08 +00:00
e120464046
Quaternion power to a real exponent.
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Former-commit-id: e8dc72c04813e592dd1c5a0ccff2971374b3c99c
2019-02-25 05:03:11 +00:00
8829f50c53
Fix typedef syntax in vectors.h
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Former-commit-id: 07ab007347ec17d4840755620bc063ef0ec10523
2019-02-22 06:22:56 +00:00
83b8b72578
Quaternions and Wigner matrix elements; untested.
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Former-commit-id: 27dfd620a73f7ec246882863239e96a29c87a867
2019-02-22 05:35:38 +00:00
c5600a8558
qpms_finite_group_t and hard-coded group code generator
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Former-commit-id: dca27ced8fda8b33e86a89fdba802172d71d9c10
2019-02-21 17:38:43 +02:00
f43db34075
T-matrix interpolator.
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Former-commit-id: 3ec46a4afa7b92dd928f0b2156b5403780edd827
2019-02-21 13:27:27 +02:00
f01e9ba34b
scatsystem: Comparing T-matrices
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Former-commit-id: 3f1f012a8c518926ac8515884de898764807d516
2019-02-21 09:40:30 +00:00
29f78b7683
Prototypes for tmatrix interpolator functions.
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Former-commit-id: be2d0c8b9182eb2c805d8e141670f8f16afd4cb6
2019-02-21 05:35:57 +00:00
08ef7ea393
scatsystem in-place T-matrix symmetrisations
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Former-commit-id: b6d744319168f0df3117d066ca3143dd3c58efc2
2019-02-21 05:18:50 +00:00
d31b6c4ced
scatsystem: T-matrix manipulation.
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Former-commit-id: 978a4d3b7de4f3ba3b606e8b6e8c6c7c871ba50a
2019-02-21 03:48:35 +00:00
6da03c6591
Start a new C implementation of finite symmetric scattering systems.
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Former-commit-id: 14e2cd0568e9b65aaceff2b8cf31be544664eab3
2019-02-20 07:57:36 +00:00
a5b6f5ce34
C implementation of the basic point group symmetries in uvswf basis.
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Former-commit-id: c5559425bf62f741dce8f59a8dc603872ee701f8
2019-02-20 00:58:49 +00:00
c0df788628
Doxygen fixes.
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Former-commit-id: 13bb4c452a3bf44c97b6dee53a61921f3029f3f1
2019-02-19 21:41:10 +00:00
2238409046
Prototypes for functions using the new qpms_vswf_set_spec_t (NI).
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Former-commit-id: 26a1d102b4be0b0fa96a04d17a85b6b84c15b705
2019-02-19 21:35:46 +00:00
f5a776ac61
New struct qpms_vswf_set_spec_t for specifying VSWF sets.
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Former-commit-id: 56b44a931e68b57a2c786e69e859b3e0514b8a08
2019-02-19 20:56:53 +00:00
9652a06490
Conversion functions for the new qpms_uvswfi_t type; doxygen.
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Former-commit-id: 2f7f2f537ccd4eaeba2eb7765c42d0ca3549586e
2019-02-19 19:24:49 +00:00
f6a416efcb
Doxygen for qpms_types.h; Doxyfile.
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Former-commit-id: 8af3a719041eb3e1c846e40a66f65bb8dc3691ef
2019-02-19 17:49:18 +00:00
a82b93d140
cdef extern includes to a separate file
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Former-commit-id: 8952eea4fc79afbf76ade34a7ac0123b163d8619
2019-02-18 14:42:44 +02:00
2cd30acd50
TMatrices (M,N) order option
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Former-commit-id: 4daecc846b571ee64bc2f48923a1659d23b05286
2019-02-14 00:07:53 +02:00
bca248e6d5
More variable choice of k in loaded W files
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Former-commit-id: a2f88f9346c23e22e5c1203416ce11a3a7db71a8
2019-02-07 00:36:59 +02:00
c5a82516eb
Merge branch 'master' of necada.org:~/repo/qpms
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Former-commit-id: 02d05da51614f95e6aae4c80da62b6eab940ff62
2018-12-25 22:17:49 +00:00
cab66465ba
Some cpython extern declarations / typedefs.
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Towards accessing the ewald summation functions from python.
Former-commit-id: e384cbf2194f2d51357266ac345bfeace7e02b9f
2018-12-26 00:15:19 +02:00
cac8ee4dfd
Update forgotten struct name
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Former-commit-id: 77c8dcb871ccb11a37be416a0f3bf19b2ee65abb
2018-12-25 23:50:39 +02:00
7fb84d1d02
Some more description of intent in symmetries.h
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Former-commit-id: c5d64a7a203e5e50d9faadf0a085e5b895cf7d78
2018-12-25 22:43:57 +02:00
cee14a69e3
Some "declarations of intent" for new C code.
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Former-commit-id: 552279d756fc30f9138f8fc3a9fbc5f901466547
2018-12-25 22:34:37 +02:00
536301fddc
constants.py: unit conversions
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Former-commit-id: 61ecddf9bb1d4c4a0355bad5edcae435a160aeb2
2018-12-25 22:15:23 +02:00
5fca79fc9e
Using hypot for 2d norm
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Former-commit-id: eb0c5824286c4a56ab5ac068972d13a42aa78838
2018-12-22 03:25:41 +00:00
328d22de89
Rename ewald3_constants, move legacy code
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Former-commit-id: e83dcfa532f7b8d7345103752aca924a56ad7138
2018-12-21 19:31:45 +00:00
fd1aed02ca
Complex k support for new ewald sums.
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Basic tests give good results (only up to rounding error differences
compared to the previous versions), the time increase is almost negligible.
Former-commit-id: 0907517ca94f130a0d8b140ba7b525653e24090f
2018-12-21 19:05:52 +00:00
d2b34f9407
Some preparation for complex k
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Former-commit-id: 62f3bc88de27f43ba82199a2fe221ba60b199e0d
2018-12-21 16:50:53 +02:00
b968b55cfe
Sara rect irrep decomposition
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Former-commit-id: e35e732577bf3dd920ee8a4c8f03523ea313b395
2018-12-17 17:27:31 +02:00
7bf6d1dc7b
Symmetry projection operator generation
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Former-commit-id: 58b0d7b3f2a292c26964571edf159b26f0eef0ed
2018-12-17 16:46:51 +02:00
a5739c6e74
Generalize point group representation code + some useful groups
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Former-commit-id: 086e2142ca248c82999363ecea0555a560113a38
2018-12-17 12:14:18 +02:00
324303478c
W file processing for variable particle number, some convenience funcs.
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Former-commit-id: f75687d81961da077bce21fdfe4f1721173e00b7
2018-12-17 11:03:17 +02:00
665ad09dbb
General 2D vector translation coefficient app.
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Results seem consistent with the prior triangular lattice code
Former-commit-id: 99e2aec5d0662c46c2aaa5e4496033ddbb506042
2018-12-12 12:03:30 +02:00
703d09a566
Fix reciprocal basis in lattices2d.c. New ewaldshift test gives results consistent with the legacy code.
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Former-commit-id: e8c3ab317136614852749fd65a0c1326158eee5e
2018-12-11 22:22:25 +00:00
4695792772
Test of the new api – results disagree with the old one.
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Former-commit-id: ed09750246bca9a71e810745f443612ea0b989e8
2018-12-11 11:36:12 +00:00
3972f0a2e3
ewald.c fix new init memory management.
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Former-commit-id: 582e34027bad4bd1ee017886d3dc2120a8c0bf3c
2018-12-11 11:09:38 +00:00
f3e1e70b62
l2d unit cell area calculation
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Former-commit-id: e714f4fb33669138cb45179f323893b3e996fd78
2018-12-11 06:51:23 +00:00
8ce2956911
Dudom; towards general 2D ewald sums
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Former-commit-id: 3e626dd16692d93f4c958ac129b4d9ec91adc07d
2018-12-10 18:47:27 +02:00
105cf3e993
C lattices: Implement 2D reciprocal basis calculation. Untested.
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Former-commit-id: dcea1aead71341bb5e46457ce9b22abfc8b43800
2018-12-10 18:15:37 +02:00
490e6491d0
Generic ("any coordinate system") union point type
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Former-commit-id: 3ee7def1bed539161ceaf42ecf392871a4cfcdea
2018-12-10 17:10:47 +02:00
47cd2b8c59
Latticegen xyWeb, slightly tested as well.
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Former-commit-id: 1a51ed4080f5a17b797b27fb2425052beacfb687
2018-12-07 23:11:08 +00:00
38a26d074b
xyWeb lattice generator, untested
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Former-commit-id: 23ebe13392f30118d6bc090ca285c8de3b2a4a53
2018-12-07 09:55:45 +00:00
1b24794baa
Refactoring lattice generator API (dimensionality generalisation)
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Former-commit-id: 3eb6623ed298bf1e2a458d15c237e83b3b3cf70d
2018-12-06 22:30:34 +00:00
0719043653
Polar and 2D cartesian coordinate conversions
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Former-commit-id: 0fee2d7c0f9a0f26267887e563ad237efb5be8ed
2018-12-06 22:25:59 +00:00
530270b5af
lattices2d.c implement finding the "base vector hexagon" inscribed sphere radius
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Former-commit-id: 075a19b07a8066d31378990470a90c4a7e8689ce
2018-12-06 20:42:11 +00:00
a06ac73663
Práce na generátorech mřížek... Dudom.
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Former-commit-id: 55eeba3d3325e668ba5da3d1b556eeae406fb687
2018-11-30 16:59:12 +02:00
45eadd13db
fix z-axis latticegen
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Former-commit-id: ab81c5470a3e8831f3ca38dbed54cf7c5d04ce90
2018-11-29 16:19:09 +02:00
6b88106cce
Lattice generator tests.
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... there are bugs to be fixed
Former-commit-id: 2437fc3c1dd76ba5bbe83d082b036758c5ba8ba7
2018-11-29 15:59:45 +02:00
a300ac9e0f
Lattice gen z-axis done, untested
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Former-commit-id: 2b37429596400291b7ce8452fc12c1b9e33ee4c3
2018-11-29 15:26:26 +02:00
394fc3813a
Hexlaser paper fix fig S11 axis label crop
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Former-commit-id: d8cb511a77fd47a9a4dcfc7bbe36381adc79c7e3
2018-11-28 18:11:09 +02:00
be7da65b5a
Wrap function ewald3_sigma_long
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Former-commit-id: b36f1095d792b9bfd54d28fa9d0da5de0da0ba3f
2018-11-24 23:10:32 +00:00
0c55595d08
Implement LR part of 1D in 3D Ewald sum along z-axis; compiles, untested
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Former-commit-id: 2a9b972dc012401c08758ee768667dfd3a3882c4
2018-11-24 12:51:57 +00:00
b90bf2875b
Práce na 1D ewaldovi; du dom.
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Former-commit-id: dbecec91884dd005a2001c71d4bbe50de74fc8d0
2018-11-22 16:49:37 +02:00
577a4a5a28
Duspát
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Former-commit-id: 03503b9541198b86495636cef73271f5cce1d759
2018-11-22 00:02:31 +00:00
de316bdfb1
Forgotten header file commit.
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Former-commit-id: 68c61076080110267e3ee7cd5cfaab68313ccf3f
2018-11-21 19:42:17 +00:00
c7c9dc52b0
General 3D Ewald short-range part now compiles.
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Unchecked, untested.
Former-commit-id: 40c10a0eef6575cd29e95be5a0908e28c24ded1d
2018-11-21 19:41:20 +00:00
11f380170a
Half-implemented the general short-range part of ewald sum in 3D,
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unchecked, untested, dudom.
Former-commit-id: b3551114b8c7136e378feb6dc78cb575a5bfc162
2018-11-21 19:49:07 +02:00
c00855a1e6
dudom
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Former-commit-id: 9584e40968c45c3acc25e90b51d28a1bb28b8f0c
2018-11-14 18:36:15 +02:00
c3a89b24ad
Abstract lattice point generators
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Former-commit-id: 7c2d5d2a94f2888150ea2bad79d4e287a3323061
2018-11-14 15:15:17 +02:00
cffe339c5d
Working on 1D ewald sums
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Former-commit-id: 957a1638d81f80032ee86bfd374004743f230767
2018-11-14 06:37:59 +00:00
2a5dcd3230
Start implementing the nice functions from lattices.h
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Former-commit-id: 4f00c873044ef941e09ccfb5739b35e2a81f01f6
2018-10-11 10:33:53 +03:00
408685c606
Enable processing one-line (single K) Wfiles; plots for hexlaser
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supplementary
Former-commit-id: 0f4027ecc7bcb7780c04fdd13bd7144eb7a1d3e9
2018-10-09 10:13:38 +03:00
156c54f4b3
New fig crosscut image
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Former-commit-id: 0154de34b285cd15b7d720edfb7d7ed3a8e7b7c5
2018-10-05 19:02:06 +03:00
77b4a5053a
Fix projections problems in ipynotebuuks
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Former-commit-id: f5e8fe3da867ec37ee81d7e87ff086c888830f33
2018-10-03 20:26:47 +03:00
c3e234b892
Add yflip possibility to symmetries.py, piecewise loading of Wdata
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Former-commit-id: 2b35cdc1fcf45a56fe5bd5214d4a6e9dc40f3d73
2018-10-03 09:25:05 +03:00
8507b09332
Fix fatal typo in translations.c
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Former-commit-id: 54d8ff3b8cd8f443584bd567e8ba068539e5656f
2018-10-01 17:03:56 +03:00
533c3f70bb
Some ndmatrix functions
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Former-commit-id: 7f0fddbb5cbc2c6c53a04f9416467214953bb613
2018-09-30 20:50:23 +03:00
cdb3264a48
Fix names of D3h irreps
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Former-commit-id: 8ba62e17ce473b8d5333f5f2fc762b369fe12b6f
2018-09-26 01:17:01 +00:00
798c69de44
dudom
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Former-commit-id: 4dddd839f153a1a9602b4f4b6c2c85035f6d9d0b
2018-09-24 00:21:15 +03:00
95eaea1b4b
Function argument name fix
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Former-commit-id: fc94fe122c9c8e9eb3f0a0b125db79a0a238fee7
2018-09-22 23:05:37 +03:00
ea2ec950c9
Fix disastrous eta in hexlattice_ewald
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Former-commit-id: bfe6f55c6abc193c8c1e9280524d25004fb75217
2018-09-22 22:47:14 +03:00
3236c1e4b7
Irrep generating function to a module (end of ipynb copy-pasting)
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Former-commit-id: b98580074f2d00ff5ae2356e08b9ab189cd567ed
2018-09-22 04:29:30 +03:00
dba2b9d104
Fix hexlattice ewald kin option
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Former-commit-id: 306c547053b53c594029142095ff3649380e7ab0
2018-09-19 22:02:20 +03:00
e5412da897
Fix W data processing
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Former-commit-id: e2884d0702f8fc5bd5e6d8c238cb60d13386a515
2018-09-19 20:48:28 +03:00
726e5615af
Wdata python processing and loading
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Former-commit-id: 7c93e51efc4df0410e34c1a1770192581bf17190
2018-09-19 19:23:10 +03:00
2b384a48bf
Fix output formatting
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Former-commit-id: 46d0fc02ccb211377982508a6618af9cc0882882
2018-09-19 18:41:35 +03:00
f45b11928e
Hexlattice ewald macro option to read k vectors from stdin
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Former-commit-id: d0d48d789344b52a272540283bc142f4186aae1b
2018-09-19 12:41:23 +03:00
12c92a6423
Fix singular term
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Former-commit-id: 33a368c7126d4a8dfa5bdebaae3e70badfd6c2f5
2018-09-19 10:23:18 +03:00
fa1cee6c17
Alternative omega input
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Former-commit-id: 989c292b09077cec1acd590e5b4ca914352925d2
2018-09-19 09:44:41 +03:00
1cbaf2d993
Deanonymise struct types
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Former-commit-id: 1df0bbb2bb903cf28e5e5f4a890bda4f9e351182
2018-09-19 09:17:04 +03:00
1f7ac7c1c1
New hexlattice_ewald.c with real ewald sum
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Former-commit-id: cb398312fcb1d78f39cc374e3171e216d7604f90
2018-09-19 09:16:38 +03:00
5426d5064c
yet some "real" tests
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Former-commit-id: f09d2f26f3f36cf2838deaadccd69cce7e8f1906
2018-09-19 07:17:04 +03:00
6a58a89628
Fix function identifier in header
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Former-commit-id: 5b0aea4345302a9dab3acae58c67962553d95251
2018-09-19 03:17:45 +00:00
803f1525b4
Ewald A, B coefficient calculator (for arrays).
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Former-commit-id: ae5fffb48a91a70dfd89c8caa82914801250dcd3
2018-09-19 03:12:35 +00:00
f660107925
Ewald summation – stupid implementation of alternative lattice sums
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Former-commit-id: de2830e9e5b65fd679fcf5fd1e8ec3e13dba116a
2018-09-18 10:37:07 +00:00
68c1bf711a
ewald.c: type qualifiers
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Former-commit-id: d1436642545f21bf3bf4a74f4365ece45b3a5c7d
2018-09-15 18:32:49 +00:00
169c091806
Shifted lattices now consistent, TODO check overall shift sign and fix LR declarations
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Former-commit-id: ff8a3a0b93447566a605bc7fe6ddbfe34dec3cd2
2018-09-14 21:10:10 +00:00
e204242817
Fix branch selection in long-range ewald sum.
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Now everything is consistent except for sigma0
Former-commit-id: 86132a0db0604ed8c56f725eb95c5b22a103b804
2018-09-13 01:16:13 +03:00
3d83d174bd
Fix points2d_rordered_frompoints last layer r;
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dump lattices intests/ewalds.c
Former-commit-id: 1addca6a1c240310e86213c283df4162b2536b87
2018-09-12 20:12:49 +03:00
70f1a0a67a
Hypergeometric 2F2 for calculating lattice sum errors
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Former-commit-id: eac72db084c3b3bd387115255590df4269aca76f
2018-09-11 10:07:37 +03:00
84a2b7f64d
Fix spherical harmonics for negative m in ewald.c.
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Former-commit-id: 960dd721a009e2b2f82c986677c3faa65d36394c
2018-09-10 15:28:41 +03:00
0426524842
konstantisace; dudopráce
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Former-commit-id: a146fe83f9dbf17044cc723c325ba70230969e44
2018-09-10 05:10:13 +00:00
bad8105c9b
Fix legendre function indexing. Test pass for even m now.
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Former-commit-id: 2bd5bfddc3eab30a0e1e7590d18f31bf5098d54e
2018-09-07 20:11:50 +00:00
1fca413cab
Catch underflows; fix some off-by-one errors. Some test values pass now.
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Former-commit-id: 3add9f21ad6fee5d443fafc3a6b2c02f2f8b6524
2018-09-07 17:46:07 +00:00
fcf836e62e
[ewald.c] Fix malloc size
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Former-commit-id: a2da5e820d4835e1cf91ab308a63f0aedd431789
2018-09-07 12:39:52 +00:00
fd6380a085
Found some memory-related bug
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Former-commit-id: 684f9cbe9f7f8112aff5981215076182051c8235
2018-09-06 16:17:28 +03:00
5357d53fc5
Fix ewalds.c test output; n.b. the current long-range parts.
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Former-commit-id: f51675842d53a2ba0c6c2821180c11fe60445257
2018-09-06 15:00:38 +03:00
dc80d64e5b
Fix incomplete gamma error negative sign
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Former-commit-id: 427aed40f46b9384a310e801b5d26ca13c73eba9
2018-09-06 12:09:25 +03:00
1cd4733e85
Fix ewald32_sigma0()
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Former-commit-id: 969764c516c0e0e8cc928e18447eb5327791d5bc
2018-09-06 11:52:54 +03:00
adc731029e
More test params etc. (still wrong results)
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Former-commit-id: 589f4a643ac318f384554b83318355289fdf827d
2018-09-05 19:45:28 +00:00
d69bd91356
Ewald test fixes.
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Former-commit-id: e39e837ac508c89b771e6f96b1fb244f2b7b2e05
2018-09-05 19:07:41 +00:00
b707f65d83
Ewald sum first test compiles
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Former-commit-id: bb63ffdade407900478c26f2e10bc0ee8efb5154
2018-09-05 18:50:02 +00:00
e11f995b52
Scalar m,n indexing to allow n = 0.
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Former-commit-id: 4b6f2f3611a00e2019b54bfe73c407baafdd8355
2018-09-05 12:39:02 +00:00
16ce3a6ba8
Sigma0 ready, it's time for writing some tests.
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Former-commit-id: 956254dcd4c337374d945465ff228fc40595fc3e
2018-09-05 11:09:22 +00:00
03ab9755a5
ewald.c compiles
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Former-commit-id: 7bcd240f3d9b5aba233550e4242736e700f96c35
2018-09-05 07:58:13 +00:00
858e997981
Ewald short-range part etc.
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Former-commit-id: 181d2da97f80dfcbe942d27819d831895a2df263
2018-09-05 09:07:03 +03:00
fb7b84e066
Note about argument order in translations.h
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Former-commit-id: 38214dbf55ad1a4cb6b168d8aad9422f000a8cf0
2018-09-03 19:49:33 +03:00
83253bfc0c
Dudom
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Former-commit-id: ce1f24b4b792b797985113d2c76f2191847c91ac
2018-09-02 06:19:50 +03:00
6c09121a5d
SR ewald sum in progress
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Former-commit-id: 927486c4e73f5d60dd1f3c94ff5b4878506a5e17
2018-08-27 11:39:29 +00:00
7c0f285c23
Jdunakonferenci
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Former-commit-id: e734bb63665d03b986a98e45f937979eacab58c4
2018-08-27 10:28:34 +03:00
758c37b2b2
Ewald summation LR part, stupid.
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Former-commit-id: 9795ad00b41e83c30feb027853a13959d8b506ea
2018-08-27 09:45:11 +03:00
467c82c444
A switch safety default statement.
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Former-commit-id: 83924f9b7186028b9775fab3e0f1b12ecbc309f0
2018-08-27 07:50:37 +03:00
ee0086ccf5
Ewald sum prototypes
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Former-commit-id: 967f344c65508e86373034e2a09932b5e1218d51
2018-08-27 07:50:00 +03:00
cd937e73eb
Rename macros for old "ewald-like" sums
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Former-commit-id: 7ac883fff074a19f3418bf78179d7d7135f3fa41
2018-08-27 01:13:37 +00:00
e84483b2e8
A stupid shift function for points2d_rordered_t
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Former-commit-id: bbba5408081965d8550d78fed5b7569c5cff95b8
2018-08-26 19:36:45 +00:00
60e1490d74
"Annulus view" for points2d_rordered_t;
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+prototypes for functions inspired by lattices2d.py (not implemented)
Former-commit-id: da46b26573e3fd23b3cb3e8a0fe20c6bc3dff3e6
2018-08-26 16:30:47 +00:00
cddedad752
hexagonal lattice generator (gives correct results,
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but valgrind issues some warnings).
Former-commit-id: ea5ced6206d1a75dccb5e72ebb4775ca3d77bfc3
2018-08-25 12:13:10 +03:00
91523005fb
Shifted triangular lattices
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Former-commit-id: 5d37f291890930d0b3ed6cbcec16ec6eba6077c6
2018-08-25 01:13:27 +03:00
883926daac
Triang lattice generation fixes; now finally working
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Former-commit-id: 27a609231d8a262ebbf93e68f400c664480f5f06
2018-08-24 10:54:49 +03:00
d9285c28dc
Triang. lat. gen. fixes
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Former-commit-id: f1bd8375c4a1e10aa922dfa922a18eaa22fe07ce
2018-08-23 14:33:03 +03:00
e6217bd363
Triangular lattice generator
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Former-commit-id: b3b2bdafacb2cc91b1ebb28ed48b1549451e528a
2018-08-23 14:18:27 +03:00
ca454669d1
Dudom doopravdy
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Former-commit-id: bc76e84f71750f47f07a3a08bf49044dc9f1ae70
2018-08-22 19:22:11 +03:00
ec7edda67e
Unfinished generation of equilateral triangular lattices (dudom).
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Former-commit-id: 4cc4da2e9755c279aba0d14c296f76de2cbebd04
2018-08-22 17:14:07 +03:00
4e7bc364ac
Lattice sum constants fators
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Former-commit-id: 0337b5e459ad57ca81c4c903f1bc4446ec7e5566
2018-08-21 15:13:42 +00:00
7093ff3add
fix incomplete gamma for negative x; tests
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Former-commit-id: 688dc830c0b9396ceea7f503783f62d760ccf601
2018-08-20 16:29:36 +03:00
f273a46a9a
Incomplete gamma functions for complex second arguments (needed in
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Ewald summation)
Former-commit-id: 409630d01d58f8f4e69dceb3cd59af22576acc41
2018-08-20 15:25:08 +03:00
6314a21eb0
Note smash stacking bug
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Former-commit-id: 6b73fbac57463b6f391fb73dfd243692b2434690
2018-05-18 07:12:15 +03:00
fb78c7fa48
Check argc
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Former-commit-id: 11ffbe17d94708b8755f3a228040e723c987b248
2018-05-17 23:12:52 +00:00
c4a6841973
Fix filename
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Former-commit-id: cbea92bd158077948efb2a8ec933e01fd4132822
2018-05-18 01:59:13 +03:00
f42cdb8f6b
Calculating W with "smarter" I/Owq
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Former-commit-id: 4155eaf7aab80dc121976555f8595f7c1549af84
2018-05-17 22:22:11 +00:00
7c55453287
fix k loading in loadWfile
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Former-commit-id: 93cc473f2bfd4229a5290ede85b3cd4b78b50694
2018-05-17 20:15:08 +03:00
6049c8425f
Loading Ws files
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Former-commit-id: 6d72c394d5b5817efc8ecbdcb5add071111bbf2d
2018-05-17 13:00:44 +03:00
294ed51075
Preciser name
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Former-commit-id: e0df33a7873d52adb6e2a73c3c94f1d94a699371
2018-05-17 06:04:03 +03:00
a7e74d7bf4
Minor tweak
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Former-commit-id: 3e8bcfa06b17bd6defa0a60f0f394d9ef4cf14a8
2018-05-17 06:02:05 +03:00
d00ffb2de2
Loading W lattice sums in python
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Former-commit-id: 041c0d9b2c2be5f9392b09a1a22ef0300a1555cc
2018-05-17 06:00:01 +03:00
cbab332c34
loading tmatrices from the new scuff-tmatrix versions
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Former-commit-id: fe8b6c63e859ea18cf3415deee38258aa7bde50c
2018-05-16 21:04:15 +03:00
12f9191a09
Test the translation operator array function
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Former-commit-id: b2ccef5adc99d27e24e730b817ce40ae0c98d4c2
2018-05-16 13:01:14 +03:00
961baedc61
Test array version of translation functions -- incomplete.
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Former-commit-id: 191be54debe2306df7133ac4f48202e94e87cfa2
2018-05-16 05:05:20 +00:00
1cc1793f57
Fix memory corruption, python package installability
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Former-commit-id: d9d89ff20b67132e8d88d55b206a8856a395f1f2
2018-05-15 14:37:05 +03:00
65e8271feb
hexlattice_ewald: už to něco robí
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Former-commit-id: c55716f7ac150413bd0c5891eba4995ea521fffe
2018-05-15 11:03:33 +03:00
81803d16a4
Hexlattice ewald summation compiles
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Former-commit-id: 4bdbd08da64527e77926f66656ef1b0b81546cdb
2018-05-15 01:47:07 +00:00
2b00af241e
More 2d vectors features
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Former-commit-id: d260aeb125cbefaefcadd375c148ce06e8ba96be
2018-05-14 23:15:29 +00:00
8123af47b3
Triangular lattice generation
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Former-commit-id: b747cba4af2cd1fefe5420a551d3524cc184adca
2018-05-14 20:05:31 +00:00
5365ae97d5
hexlattice ewald: lattice generation
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Former-commit-id: 1b7494125603332d5bb2ffb3e607095452661c50
2018-05-14 18:38:49 +00:00
120a18a514
Kahansum fix header
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Former-commit-id: 1679d5170dedf5ef3218182b9e57e8f4f56c4737
2018-05-14 18:35:28 +00:00
4bfd0ce717
Some 2d cartesian vector functions
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Former-commit-id: f5de4b53cee352d5c1866dfc0a771f462b50af7a
2018-05-14 18:00:38 +00:00
41366c175d
Translation operators long range part fourier transform
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Former-commit-id: 7c5e6f557f3334f42e0b3bd955aafdefa775e863
2018-05-14 17:15:12 +00:00
b6e1663619
Fix comments and limits (at least I think it's a fix)
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Former-commit-id: 72f1cddf58f6e6a2e01d1e87174c147c38ead0dd
2018-05-14 15:58:32 +00:00
8bf9a1c54d
Fix besselbuf sizes, start implementing short-range parts.
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Former-commit-id: 7858c87377afe9e6484f6bd906d2fabfb9953945
2018-05-14 10:02:15 +03:00
51d354985f
More comments
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Former-commit-id: f7abe9035ffeae9e5e22c091ca2b0e034d2b5145
2018-05-14 07:40:08 +03:00
2da546f7c2
More comments to bessels.h
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Former-commit-id: b0a922527c704ac1532db6042239bddab641915c
2018-05-14 07:04:05 +03:00
c0f23fce55
./dipdip-dirty stuff moved to ./qpms + comments, asserts and consts
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Former-commit-id: 6005fcf91ca007b7e6d7093d1e82a0a305f28ffd
2018-05-14 06:52:32 +03:00
a22b6b5712
Cleanup
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Former-commit-id: 3a84f7eb73045e4c1ca6e380f9d1746fb9b870c3
2018-05-13 07:18:56 +00:00
1cf7014415
Making reserve in bessel buffers (TODO check the actual size needed later.)
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Former-commit-id: d062dbb2a6cda23678b4557ce510aa0426a2f73a
2018-05-13 07:02:18 +00:00
6a6a3853e1
Fix regression
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Former-commit-id: 89b21f29bdd06afcb3d49a8532d3a0c551f21a22
2018-05-13 00:15:02 +00:00
e9b97ba808
Translation coefficients now correctly account for csphase
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Former-commit-id: 13bf2de0847b57fe8723968e00000a4ea6bfd315
2018-05-12 07:03:34 +00:00
75e0d135d3
csphvec_reldiff version with tolerance
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Former-commit-id: f2ddb1fd9c55aff96b1e9f4145cb93bf255b6318
2018-05-12 06:09:13 +00:00
9bf0736dd4
Fixes in less used functions
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Former-commit-id: c90e785fd2f7a1672447d4d3136ce7c443dc1b8e
2018-05-11 19:13:02 +00:00
e55847425a
different tests of vswf translations
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csphvec_t norm and relative difference functions
Former-commit-id: 39addcec6e5429e82698751427ffca03168569e3
2018-05-11 14:29:58 +00:00
9e2ad963f4
Xu's antinormalisation (broken, though)
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Former-commit-id: 36ce5c8fdb1e63fe790cb40097f22b38fb2dff00
2018-05-09 08:51:41 +00:00
8f6181ced8
[IN PRO6RESS] Xu's antinormalisation
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Former-commit-id: 577e58118d7da93b927035b4e6e91c6c4cdab485
2018-05-08 15:39:12 +03:00
45edb30a62
Split Xu and None.
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Former-commit-id: 3a7198907df8d1cbcb41ad7f0923bc8757183d83
2018-05-07 03:46:55 +00:00
0b4044f267
Fix translation coefficient magnitude for unnormalized waves.
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N. B. this will lead to different numbers than in Xu's tables.
The normalizations "XU" and "NONE" will be hence different
Former-commit-id: 040a39c694e871b487523af73abbf3028ef81576
2018-05-06 21:29:02 +00:00
1665474b3d
Fix translation coefficient magnitude factor for power norm.
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Former-commit-id: 645b9b3517af9d2c2a9ef3e0223307d21f3c89fa
2018-05-06 20:38:33 +00:00
1cf9eac0ba
Revert accidentally deleted code
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Former-commit-id: 0644367bdab1c407898a6e869c21b07f392c9c53
2018-05-06 19:29:20 +00:00
5e45afad38
indent
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Former-commit-id: a56647c77be3363a71248e7ade21dd52b1d515a8
2018-05-06 19:13:10 +00:00
f943cc0cdb
Found a working set of parameters for the VSWF translation.
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Former-commit-id: 3b36597e152bd89e6251e34d549fe1db3ecfd955
2018-05-06 17:34:35 +00:00
430e5b2a6b
Update the Xu table translation test (TODO the .fodt file)
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Former-commit-id: cd4f3cbc1c451a790d2e06691d083e85ceab41fb
2018-05-02 21:17:06 +03:00
20595e0781
Xu Table test of translation coeffs: fix erroneous table entry.
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Change output format
Former-commit-id: dc3dcc3ce9abd84cfbd7107d2953c64fffd219de
2018-05-02 19:47:35 +03:00
34557fe5a4
Move translations table tests
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Former-commit-id: bfb7f991c86f2cb2e25cf7444854d9647ed0f31b
2018-05-02 14:02:39 +00:00
1277faac91
ray plane wave test - fix missing columns
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and it works, so the error is in the translation coeffs...
Former-commit-id: 13ca4eb13352ee7ac899afe359250f54b2783d86
2018-05-02 08:23:26 +00:00
0a7da94b4f
Fix "zero" ray in plane wave test
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Former-commit-id: cd30bf7acb9c68bc325fd60524a3a21df26629bc
2018-05-01 20:13:39 +03:00
7eefd445e0
New test code for plane wave decomposition
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Former-commit-id: 6fc69078608e26184fafdf3f161ff3f084c56aa3
2018-05-01 19:57:02 +03:00
e3713d61a3
Ppfac for the "new" B-coefficient
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Former-commit-id: aea661c0419d2b619e79044960728a225a7f7132
2018-04-26 11:13:15 +03:00
bff06d61d2
fix uninitialised value
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Former-commit-id: 22535c732f1c6ebb7e97b73e32d88149670a9071
2018-04-25 22:38:04 +03:00
fbcd9d12ff
Small fixes
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Former-commit-id: 100df715f56500e605ee77fd86afec8153e3225a
2018-04-25 20:37:34 +03:00
99bea1c9b7
More convenient output order
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Former-commit-id: f71accc9a5bbbaeb2893ef4acbf8ca3664192169
2018-04-25 20:25:08 +03:00
73d76f6e25
fix identifier
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Former-commit-id: 465c243162b27608dee36388d48071143f788a9d
2018-04-25 17:20:43 +03:00
244d6b7037
fix format strings
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Former-commit-id: 04ba94c6f41a94f4b5b90e5dfe5879c3b7533637
2018-04-25 16:25:42 +03:00
eb47cc2e6c
New test approach for the translation coeffs
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Former-commit-id: 26c9ee06f12c3f5b48921be530812707d81826c7
2018-04-25 16:08:55 +03:00
c2ee695633
Fix kahansum init
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Former-commit-id: 306596052fa88952fcb182f69d79315fa9c24020
2018-04-02 20:49:27 +03:00
a9c04937f3
Various uncommitted mods and fixes
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Former-commit-id: a9c5e0b73d23eae4b8b5fe5223f21a391d321b1e
2018-03-28 18:28:33 +03:00
d0890b9d91
dudopráce
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Former-commit-id: 4fd98da0231d2df8a1a8d9ceeca0a8a4ecc1ff1e
2018-03-15 02:26:00 +00:00
e06cdd3171
Dudom. Implementace besselových fcí v chodu.
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Former-commit-id: 63827799543f410dfb1a83cab7ca10287d76f7c2
2018-03-14 17:17:52 +02:00
5b5e77f985
Kahan sums 3
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Former-commit-id: e34f5bbb16a95c4d5517121454a4d5229bcb50c8
2018-03-13 10:57:08 +02:00
ad2815434a
Kahan sums 2
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Former-commit-id: 0d8c588c1770d76fd7db37e003e357f0b1bc4988
2018-03-13 10:54:32 +02:00
cf340560af
Kahan sums 1
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Former-commit-id: e3a1c66347d2bb05162560b526618eb8c248de04
2018-03-13 10:54:07 +02:00
93137b29b3
Replaced (probably wrongly implemented) Xu's B coefficients with Xu/Cruzan B.
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Former-commit-id: ea0f90e263c7e41a60bb1aeda0dc5efa2021b3dd
2018-03-08 10:31:11 +00:00
2cab9c1307
Dudom
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Former-commit-id: ade18052fd1fbc4c02557c8fad65d66ad0272f47
2018-03-08 00:14:15 +02:00
4b7797edaf
"fix" the q ranges for the B coefficients in translations.c
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Former-commit-id: 17084dd0b57cb4271c67d5d95b7e033c3968276f
2018-03-07 21:32:05 +02:00
6474ceff0b
Testing translation coefficients – found some irregularities.
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Former-commit-id: 1f4791f3c6447de48229ccc4eb5a59c6cd7a2968
2018-03-07 18:44:32 +02:00
93ac5730b2
gaunt coeff generators mathematica
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Former-commit-id: 43fb56d338faf193083035ab4ae4da115ca0bbaf
2018-02-13 01:45:26 +02:00
85ef4d7a70
Precompiled tabulated version of gaunt coeffs + tests.
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Former-commit-id: 3fdd540ca817b1d5cc576b54baa3e8f42bd958ce
2018-02-12 23:39:51 +00:00
1a95827149
Test translations. Gives terrible numerical results.
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Former-commit-id: d0315028193ba3e951c2f569d21c62035417327a
2018-02-08 10:23:31 +02:00
1829dcd58d
Xu test more or less working for small n, nu.
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N. B. incompatibility with old Taylor-like translation coefficients
Former-commit-id: 506c15d318b673cc38d0e137efbc55b2687dde7c
2018-02-08 06:23:34 +02:00
d5f47c1844
generalise translations; does not give right values yety
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Former-commit-id: 89262c325c2c2b619d1b5b7b7fd70ef3d02b0c41
2018-02-08 05:01:41 +02:00
e689df15fd
fix broken syntax in translations.c
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Former-commit-id: 46444199859568e0a34bceadef5a017f6bcb7480
2018-02-07 17:33:08 +02:00
de45a9e38c
reorganisation of the code
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Former-commit-id: 2efe6a07fa27aa2a159dfa83959e9580b3f53809
2018-02-07 15:39:41 +02:00
b51b1dc2b5
Wrong radial part of longitudinal waves -> BUGS file
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Former-commit-id: 6144e79efefcb54b43e85b1b3c14ef9d907bb336
2018-02-04 22:23:02 +00:00
4dc151d5b9
Correct plane wave decomposition at origin (wrong elsewhere for longitudinal waves
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Former-commit-id: 4dc70fde23e31828fb959da429d716bd39e84e47
2018-02-04 15:40:13 +00:00
dbc118e712
Plane wave decomposition now works for the transversal part (not yet longitudinal)
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Former-commit-id: 83dadf35d24a66c7576395f6f156f5e7586551cd
2018-02-04 11:43:42 +00:00
6198a992f9
Forgot the test...
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Former-commit-id: 88ae72c3ac9e3c0bda5f80d2ea46440687710e72
2018-02-02 14:23:47 +00:00
f458e94995
Plane wave decomposition compiles but yields wrong results.
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Former-commit-id: 0cfe82f1efe0e68d41a2f4bf315dfac4618cf435
2018-02-02 14:23:15 +00:00
7988b4e942
Dudom
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Former-commit-id: 14be6634a87694d70a8b29a5ddf5ec4399b9c691
2018-02-01 17:04:51 +02:00
00f9f5234a
Jdu do práce
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Former-commit-id: 3be0f5adda5334dae7397d21b6d48835a190632d
2018-02-01 04:40:45 +00:00
2a7015b80b
Rozbil jsem to, jdu domů.
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Former-commit-id: 77490824d9a8f975ec4ebe98d8cfa104093884e4
2018-01-30 01:09:48 +02:00
155859d8a7
Fix edge legendre signs again
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Former-commit-id: 932787e15c101c131bded3ada1034a379da6123c
2018-01-29 17:34:41 +02:00
bd5aacd7d9
Legendre, pi, tau calculation fixes
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Former-commit-id: 98e265cc0c6d73bd3eff3a601096ce84d63cc7a2
2018-01-29 10:13:13 +00:00
92e9622b64
Pi, tau auxillary functions. still bugs in the poles.
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Former-commit-id: 99d550f5ffa03d001f89e41a07e70652105bdc36
2018-01-28 09:18:06 +00:00
3312bc61e2
Práce na vswf ; jdu domů
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Former-commit-id: 112c65dcb0de85908b43cd488c63ac14072dc97e
2018-01-26 15:07:29 +02:00
90cc4065d3
Bessel transform mathematica results etc.
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Former-commit-id: 3dca9d0ccbfefa4c5f3867ce4ba31229646ca2d9
2018-01-15 15:14:15 +02:00
Marek Nečada