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50 Commits

Author SHA1 Message Date
Marek Nečada c0b2343b89 Try whether Triton behaves better if the parallelized code uses no OpenBLAS. 
Former-commit-id: ac1c17635e2d01d8a14129a90ffb43d3156510fa
 2019-03-29 13:17:28 +02:00
Marek Nečada 652ab6f3ba Debug message types 
Former-commit-id: 666a031026a363b15c01ca8cdc174fbf152dee8e
 2019-03-27 09:25:47 +02:00
Marek Nečada 2ab4c55e13 Some control over the launched threads in scatsystem. 
Former-commit-id: a67102dcb367b8fe577f9d8896c9a477571c7d6f
 2019-03-26 11:33:22 +00:00
Marek Nečada f23edf0d71 Default number of threads in scatsystem.c set to 4, debug messages. 
Former-commit-id: da244d95534eabe2be07327ba174467935518a12
 2019-03-26 11:54:07 +02:00
Marek Nečada 2af9b83e35 Move T-matrix -related C code to scatsystem.[ch] 
Former-commit-id: e9a162c14fe5d91281d79d9af08014787cd7ed13
 2019-03-18 15:04:21 +02:00
Marek Nečada 98da54946c Parallel mode problem matrix creation. 
Former-commit-id: a81323f6ba53fc5e790e489314bca98f6ae1ca0a
 2019-03-18 01:06:04 +00:00
Marek Nečada 86b87c955c Fix the alternative order modematrix implementation 
Former-commit-id: 7daaf636ca803565e2a72b03e1ce184ece24e4c0
 2019-03-17 23:32:51 +00:00
Marek Nečada 7db7123c91 Alternative implementation of irrep packed modeproblem matrix. 
Former-commit-id: ed37e98423e03f96f6fb850820bfae451f505f21
 2019-03-17 21:49:10 +00:00
Marek Nečada 96a6fdf7fa Scatsystem metadata to iterate the particles in the orbit-layout order. 
Former-commit-id: 468f8c3ef64c891ae8f0ef415c6f30a42307d471
 2019-03-17 16:46:22 +00:00
Marek Nečada ea0b6fb402 Rectangular lattice SVD computation script for the new paper. 
Former-commit-id: 771b278b2eee810892934f379ceefc8554e24946
 2019-03-13 23:44:12 +02:00
Marek Nečada 40caf44a24 Remove unused variables 
Former-commit-id: d1bd6585b5a33d713969ecea3be9a9ffd5ec122c
 2019-03-13 18:15:30 +02:00
Marek Nečada 412d520e13 "Direct" generation of irrep-packed mode problem matrices. 
Former-commit-id: e0833046f2f6052e5e0523dce6047e89d23509ff
 2019-03-13 18:13:59 +02:00
Marek Nečada ddfd4954dc Fix complex conjugation; now all available point groups seem to work. 
Former-commit-id: 764155cddfd30162b01c6552cea8718d55a26fd6
 2019-03-13 15:59:05 +02:00
Marek Nečada 07aed6feb7 Fix offset increment in matrix packing. 
Now it works for a z-dipole system.


Former-commit-id: 3e4aa9d4736ecc18e561d0ba5c2c19b0a027e37c
 2019-03-13 13:24:44 +02:00
Marek Nečada d11db980f9 A slow but working reference implementation of matrix (un)packing. 
Former-commit-id: 5f85c4983a8754ebae03980242b896a79954a73e
 2019-03-13 12:28:40 +02:00
Marek Nečada a2e61ad67a Particle position dump 
Former-commit-id: 75cfdfff52531da4d9e52a162774fe59d2595a1b
 2019-03-12 18:32:38 +02:00
Marek Nečada 8efd582daf Fix offset incrementation on the diagonal. 
Solves the translation matrix projection discrepancy.


Former-commit-id: 7bb7dbba47aa5ac3df32177098c096a86d2879fd
 2019-03-12 15:44:07 +02:00
Marek Nečada 431c8b9933 Fix orbit building 
Former-commit-id: eff33b43a5f7f4994e56cd2ef83be5fe10db6cfb
 2019-03-11 22:46:16 +00:00
Marek Nečada 99db225b02 Debug dump projectors and action matrices. 
Former-commit-id: d2c573b98bc06f019a28d462eac4459771889932
 2019-03-11 14:38:17 +00:00
Marek Nečada 297995690a Handling of zero packed orbit sizes. 
Former-commit-id: 75ff318b4c91477a22f0fcee30fcb8812de1faba
 2019-03-10 16:53:01 +00:00
Marek Nečada f30c5a88d9 Fix T-matrix duplicity remapping 
Former-commit-id: de1be4e08dabce7ccb404f5f8dfd288c6bac1741
 2019-03-10 15:37:39 +00:00
Marek Nečada 53109e6d92 Fix realloc pointer shifts 
Former-commit-id: 93631e50597ccde2f179fcd55e9b14c5bf85d3e9
 2019-03-10 12:43:35 +00:00
Marek Nečada a51236e058 Fix a memcpy size, new crashing realloc macro. 
Former-commit-id: 87a5690ad2297f4062f1f8349838440599f7172e
 2019-03-09 18:47:05 +00:00
Marek Nečada cce4f15eac some tests and calculate the translation matrix separately; still not working 
Maybe the problem is with the x-y flips?


Former-commit-id: 6a1ffe4c9697c7ece90a359211ee4a82b2dbb538
 2019-03-09 12:29:43 +00:00
Marek Nečada e265c01760 Scatsys full mode problem matrix; wrong result. 
Former-commit-id: d09e4210fa543068e0e6a7df80a1bef134e60ca7
 2019-03-09 10:59:26 +00:00
Marek Nečada 4dfb358de6 Matrix symmetry-adapted base packing/unpacking fixed. 
Former-commit-id: 4993a41082c5f14e6b8cc3adb41ceab902c16820
 2019-03-09 00:15:48 +00:00
Marek Nečada 5f3759bdb3 ss matrix projections and unpacking (Broken) 
Former-commit-id: 58ed4c05f8b042feb896d5dd49f5d3a5616e979f
 2019-03-08 13:39:37 +00:00
Marek Nečada fd13756b86 ss vector packing and unpacking fixed and cython-wrapped. 
Former-commit-id: ab1002b4c7b6fa4b7c14520d689cd7cd030b84e0
 2019-03-08 11:10:33 +00:00
Marek Nečada 50581dcf7e Matrix symmetry adapted base packing and unpacking (untested). 
Former-commit-id: 77724b4fc6763e1591318f42a95ef2e7fbfcbcb9
 2019-03-08 08:53:59 +00:00
Marek Nečada 52b69fb00b Scatsystem matrix packing unfinished 
Former-commit-id: 9f9806529550b3e109d284395ce53c61df648d7e
 2019-03-07 13:08:11 +02:00
Marek Nečada 519e60a501 Scatsystem: excitation coefficient vector irrep packing and unpacking. 
Former-commit-id: 5a4b983f43a0e429a8d92eff435d763358a3ad99
 2019-03-07 12:17:06 +02:00
Marek Nečada 0053eeb953 Numbering the orbits of the same type. 
Former-commit-id: 2911e40cbf8fce5f7fe6fe5c26fccdfb1fad5357
 2019-03-07 07:42:49 +00:00
Marek Nečada 1d77d76b80 scatsys orbit base generator 
Former-commit-id: 098c02bbab329ef54c081eda868fc16eda3c8821
 2019-03-07 04:46:19 +00:00
Marek Nečada d2f124ab12 Symmetrisation of tmdata. 
Former-commit-id: 504457d0259578a8eaa8db720c0f1995c5bbc6cc
 2019-03-06 17:32:46 +00:00
Marek Nečada efba713d2c Per-orbit irrep projectors. 
Former-commit-id: 7d66eb721b7f75a99c29a054f0fd60520eb28722
 2019-03-03 23:35:06 +00:00
Marek Nečada fb29736936 Per-orbit Wigner matrix representation of a group action. 
Former-commit-id: 25eaffa683bae1056a07c8e5667365f461388b5e
 2019-03-03 23:00:20 +00:00
Marek Nečada b55c0bd8fa Extend the role of qpms_ss_orbit_type_t::action. 
Former-commit-id: 8be18f9d502689673aaf4e44806c93fc462e2014
 2019-03-03 22:38:00 +00:00
Marek Nečada 97843e2a3a ScatteringSystem constructor and destructor now run without crashing. 
Former-commit-id: ada6d5862be9226a467a7dafe2b9f197d3b67f69
 2019-03-03 01:22:13 +00:00
Marek Nečada f785c7de29 Avoid NULL dereference in free() 
Former-commit-id: d257e5a0bfde5c4f6a6d7380eace24feba518b06
 2019-03-03 00:43:40 +00:00
Marek Nečada 8afa775428 Misc fixes. 
Former-commit-id: 36525fd6445d1bd19ffbd803644f8ddaada07be7
 2019-03-03 00:30:12 +00:00
Marek Nečada db7d4314ae ss constructor: otspace realloc 
Former-commit-id: 0c534b05f4bb85ec7226251e3e350d69744ec359
 2019-03-01 05:35:26 +00:00
Marek Nečada ff79fb950a qpms_scatsystem_t constructor done, untested. 
Former-commit-id: c4ac2f33b354d435b985d43762716e7149dc57e8
 2019-02-28 12:09:13 +02:00
Marek Nečada ed47640baf ss: Allocate memory for the orbit information. Orbit building not done yet. 
Former-commit-id: b8b0435bc90f456077e82e5f954644455a3dcc42
 2019-02-28 07:31:27 +00:00
Marek Nečada c63ba502ac Scat system destructor and more metadata. 
Former-commit-id: 68e2075e0ddaf8110c44d1f8d5761c33afc0e814
 2019-02-27 14:01:46 +02:00
Marek Nečada a1d14ca1b8 Typedefs for particle and T-matrix indices. 
Former-commit-id: 797052ad7a82a9f7a7186bcaab0bfea7bb962933
 2019-02-27 11:56:12 +02:00
Marek Nečada dd70c60db4 Towards a new scattering system (scatsystem.c compiles, but with some 
warnings).


Former-commit-id: 8e873fa9eeed41d5384aac4844fdebf768063fe8
 2019-02-26 15:33:08 +02:00
Marek Nečada f43db34075 T-matrix interpolator. 
Former-commit-id: 3ec46a4afa7b92dd928f0b2156b5403780edd827
 2019-02-21 13:27:27 +02:00
Marek Nečada f01e9ba34b scatsystem: Comparing T-matrices 
Former-commit-id: 3f1f012a8c518926ac8515884de898764807d516
 2019-02-21 09:40:30 +00:00
Marek Nečada 08ef7ea393 scatsystem in-place T-matrix symmetrisations 
Former-commit-id: b6d744319168f0df3117d066ca3143dd3c58efc2
 2019-02-21 05:18:50 +00:00
Marek Nečada d31b6c4ced scatsystem: T-matrix manipulation. 
Former-commit-id: 978a4d3b7de4f3ba3b606e8b6e8c6c7c871ba50a
 2019-02-21 03:48:35 +00:00