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
|
b97f3e6e2e
|
Dump the whole translation matrix...
The translation matrix has non-zero diagonal elements (which is
obviously wrong).
Former-commit-id: 91fbec3412af62799eec2784ddd5d4e43c30d7a4
|
2019-03-12 15:07:04 +02:00 |
|
Marek Nečada
|
b51b3bd7d0
|
Merge branch 'master' into fixprojs
Former-commit-id: 6bbae4be09579d1932586ee3f4f616c757af7820
|
2019-03-12 13:11:22 +02:00 |
|
Marek Nečada
|
1033daf52e
|
Fix lMax_L in qpms_vswf_set_spec_from_lMax().
Former-commit-id: b864e059aaf1108954c3f1a0d343f51450b05284
|
2019-03-12 13:08:30 +02:00 |
|
Marek Nečada
|
d63dd2cae2
|
Fix projections - work in progress
Former-commit-id: f2f6d3d762fc7c2d728af0cf31c1229ed8db1b1c
|
2019-03-12 07:01:10 +00:00 |
|
Marek Nečada
|
431c8b9933
|
Fix orbit building
Former-commit-id: eff33b43a5f7f4994e56cd2ef83be5fe10db6cfb
|
2019-03-11 22:46:16 +00:00 |
|
Marek Nečada
|
04a181ae9b
|
Fix quaternion-based rotation.
Former-commit-id: 3614adf2aa69752a529b20f73c29e7f8994826ae
|
2019-03-11 21:32:33 +00:00 |
|
Marek Nečada
|
7126bb9584
|
Test quaternion rotations.
Former-commit-id: 0faf558ea640fa9dc100280cfc677e9795a0c413
|
2019-03-11 19:29:46 +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
|
20af81440f
|
Fixes in vswf spec.
Former-commit-id: 87e0dbd73de266801c5bed7e8d3e43aaf4a0ed0e
|
2019-03-10 13:52:12 +00:00 |
|
Marek Nečada
|
53109e6d92
|
Fix realloc pointer shifts
Former-commit-id: 93631e50597ccde2f179fcd55e9b14c5bf85d3e9
|
2019-03-10 12:43:35 +00:00 |
|
Marek Nečada
|
341b28f7a8
|
scatsystem test in C
Former-commit-id: 161e215244d7d8c37567fe271063908fc1638471
|
2019-03-10 06:28:32 +00:00 |
|
Marek Nečada
|
a4a3751cab
|
Generated groups for use in C
Former-commit-id: a8610c6cb5cd0c0564a2b489a1ce8f4ac9c90710
|
2019-03-10 05:29:29 +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
|
c2bdb09f7d
|
Translation coefficients with uvswfi
Former-commit-id: fa02700e9b2dd10a85e1d15c533448f63efb9b93
|
2019-03-09 07:39:11 +00:00 |
|
Marek Nečada
|
fb706b07ae
|
Convenience function to create the 'usual' bspecs.
Former-commit-id: ce4e1cbab81ef251ad44cb58d765b6b19a0179aa
|
2019-03-09 00:36:22 +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
|
a4b0022305
|
scatsystem.h new prototype drafts and misc.
Former-commit-id: 954f4f82f5fc3932425b696b05dcab88a5566479
|
2019-03-07 07:10:43 +00:00 |
|
Marek Nečada
|
0fb36f1e4c
|
Group generation made deterministic.
Former-commit-id: ee2f92e71427c11348e8fad8c8cee2dfa16fd3d8
|
2019-03-07 05:09:44 +00:00 |
|
Marek Nečada
|
1d77d76b80
|
scatsys orbit base generator
Former-commit-id: 098c02bbab329ef54c081eda868fc16eda3c8821
|
2019-03-07 04:46:19 +00:00 |
|
Marek Nečada
|
d07d37c5af
|
Symmetrisation of the interpolated T-matrix
Former-commit-id: 1a136d1ea8e39aeee418daba0c944410fb7d786f
|
2019-03-06 21:58:50 +00:00 |
|
Marek Nečada
|
04923d0b45
|
T-matrix reading function fix wrong nesting & other fixes.
Former-commit-id: e0a81510ec618fcc554f5ca9eee0b0a006970414
|
2019-03-06 21:29:19 +00:00 |
|
Marek Nečada
|
48758c42d6
|
cython wrapper for C T-matrix interpolator.
Former-commit-id: 3c2c27b504d354513c0dd10b767f265fa6bd19c1
|
2019-03-06 20:15:27 +00:00 |
|
Marek Nečada
|
a339af5c09
|
Roundoff error cleaning for zeros.
Former-commit-id: 1efdd13b64022a93ae396bbc92345917de014ed8
|
2019-03-06 17:50:11 +00:00 |
|
Marek Nečada
|
d2f124ab12
|
Symmetrisation of tmdata.
Former-commit-id: 504457d0259578a8eaa8db720c0f1995c5bbc6cc
|
2019-03-06 17:32:46 +00:00 |
|
Marek Nečada
|
d5652b126e
|
Provisional error messages at tmatrix_io.c
Former-commit-id: c5a7c4f904f3f6f63b6bc76c7d498f3990838ac1
|
2019-03-06 05:53:58 +00:00 |
|
Marek Nečada
|
c86376d435
|
Provisional error messages with abort().
Former-commit-id: eba2bd11556cb9f39fb344f9867102f29229455d
|
2019-03-06 05:46:41 +00:00 |
|
Marek Nečada
|
12e0188c6d
|
C function to read scuff t-matrices.
Former-commit-id: 26a01ac3f9aaf5a7dce2b0cb2a722a713af2f63c
|
2019-03-05 16:13:06 +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
|
a71fa23a75
|
ScatteringSystem: show particles
Former-commit-id: 3a8397dd3dc1f459df3edd79a8c79d0ed2c4d90b
|
2019-03-03 01:39:10 +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
|
59cf2e0778
|
Basic Python wrapper of qpms_scatsystem_t
Former-commit-id: e12b21cd5219f7a995c228de8758ef58498ac987
|
2019-03-03 00:05:24 +00:00 |
|
Marek Nečada
|
94b6412a21
|
Fix group C source generation; hard-coded trivial group.
Former-commit-id: b4f34619766c728978db7104be02f1663f809506
|
2019-03-02 21:51:49 +00:00 |
|
Marek Nečada
|
408d7b661f
|
Merge branch 'master' of necada:~/repo/qpms
Former-commit-id: 297c1a42fd24abaa44afba2b811bb70c3f7c9199
|
2019-03-02 20:19:34 +00:00 |
|
Marek Nečada
|
786a4f9906
|
FinitePointGroup constructor fixes
Former-commit-id: f5f28af66e333b7378fbd5580dc07a165b43ced5
|
2019-03-02 20:18:38 +00:00 |
|
Marek Nečada
|
8b8bb2b9ba
|
FinitePointGroup constructor fixes
Former-commit-id: c731459d117d7bcfbdaa70bfc66c17fb75b5d933
|
2019-03-02 20:16:14 +00:00 |