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Marek Nečada 02ec8804d0 Fix quaternion conjugation order on vector rotation. 
Now it does not crash on C4v and the projectors seem to be indeed
projectors, but the translation operator decomposition is still wrong.


Former-commit-id: 6273c5a76b4e424f77b12514df209b995999b24b
 		2019-03-12 22:22:02 +02:00
..
apps General 2D vector translation coefficient app. 2018-12-12 12:03:30 +02:00
data Precompiled tabulated version of gaunt coeffs + tests. 2018-02-12 23:39:51 +00:00
tests Lattice sum constants fators 2018-08-21 15:13:42 +00:00
BUGS.rst Wrong radial part of longitudinal waves -> BUGS file 2018-02-04 22:23:02 +00:00
__init__.py Irrep generating function to a module (end of ipynb copy-pasting) 2018-09-22 04:29:30 +03:00
assert_cython_workaround.h The calculator module now works in python 2017-04-26 14:12:29 +03:00
bessel.c indent 2018-05-06 19:13:10 +00:00
bessels.c A switch safety default statement. 2018-08-27 07:50:37 +03:00
bessels.h Fix comments and limits (at least I think it's a fix) 2018-05-14 15:58:32 +00:00
constants.py constants.py: unit conversions 2018-12-25 22:15:23 +02:00
error.c scatsys orbit base generator 2019-03-07 04:46:19 +00:00
ewald.c Rename ewald3_constants, move legacy code 2018-12-21 19:31:45 +00:00
ewald.h Rename ewald3_constants, move legacy code 2018-12-21 19:31:45 +00:00
ewald_legacy.c Rename ewald3_constants, move legacy code 2018-12-21 19:31:45 +00:00
ewaldsf.c ewald.c fix new init memory management. 2018-12-11 11:09:38 +00:00
gaunt.c The calculator module now works in python 2017-04-26 14:12:29 +03:00
gaunt.h Precompiled tabulated version of gaunt coeffs + tests. 2018-02-12 23:39:51 +00:00
gaunt_precompiled.c Precompiled tabulated version of gaunt coeffs + tests. 2018-02-12 23:39:51 +00:00
groups.h Extend the role of qpms_ss_orbit_type_t::action. 2019-03-03 22:38:00 +00:00
hexpoints.py Fix memory corruption, python package installability 2018-05-15 14:37:05 +03:00
hexpoints_c.pyx Fix memory corruption, python package installability 2018-05-15 14:37:05 +03:00
indexing.h Translation coefficients with uvswfi 2019-03-09 07:39:11 +00:00
kahansum.h Kahansum fix header 2018-05-14 18:35:28 +00:00
konvence Types for vswfs 2017-12-17 17:07:19 +00:00
latticegens.c Generic ("any coordinate system") union point type 2018-12-10 17:10:47 +02:00
lattices.h Update forgotten struct name 2018-12-25 23:50:39 +02:00
lattices2d.c Fix reciprocal basis in lattices2d.c. New ewaldshift test gives results consistent with the legacy code. 2018-12-11 22:22:25 +00:00
lattices2d.py nd generalisation of function for reciprocal basis 2017-08-03 08:11:28 +00:00
legacy.py Fix of the previous 2017-05-08 20:20:57 +03:00
legendre.c Xu's antinormalisation (broken, though) 2018-05-09 08:51:41 +00:00
lrhankel_recspace_dirty.c Fix comments and limits (at least I think it's a fix) 2018-05-14 15:58:32 +00:00
modules.rst Description of the modules, todos, remove unused imports. 2017-07-11 11:57:03 +03:00
proftest.c Axes bugfix 2017-05-03 08:08:58 +03:00
přehled.md Bessel transform mathematica results etc. 2018-01-15 15:14:15 +02:00
qpms_c.pyx Fix projections - work in progress 2019-03-12 07:01:10 +00:00
qpms_cdefs.pxd some tests and calculate the translation matrix separately; still not working 2019-03-09 12:29:43 +00:00
qpms_error.h Fix T-matrix duplicity remapping 2019-03-10 15:37:39 +00:00
qpms_p.py Restoring the original functionality of zJn with new scipy. 2019-02-27 10:26:37 +02:00
qpms_specfunc.h Misc fixes. 2019-03-03 00:30:12 +00:00
qpms_types.h qpms_types.h doxygen update 2019-02-27 13:31:20 +02:00
scatsystem.c Particle position dump 2019-03-12 18:32:38 +02:00
scatsystem.h some tests and calculate the translation matrix separately; still not working 2019-03-09 12:29:43 +00:00
scattering.py Fix memory corruption, python package installability 2018-05-15 14:37:05 +03:00
scripts_common.py Define particle / T-matrix specifications as namedtuples. 2017-07-18 16:07:31 +03:00
symmetries.c Roundoff error cleaning for zeros. 2019-03-06 17:50:11 +00:00
symmetries.h Roundoff error cleaning for zeros. 2019-03-06 17:50:11 +00:00
symmetries.py Additional symmetries 2019-03-12 21:38:37 +02:00
test_gaunt.c Precompiled tabulated version of gaunt coeffs + tests. 2018-02-12 23:39:51 +00:00
test_translations.c generalise translations; does not give right values yety 2018-02-08 05:01:41 +02:00
test_translations2.c generalise translations; does not give right values yety 2018-02-08 05:01:41 +02:00
test_translations_xu_multipliers.c "fix" the q ranges for the B coefficients in translations.c 2018-03-07 21:32:05 +02:00
test_vswf_pitau.c Rozbil jsem to, jdu domů. 2018-01-30 01:09:48 +02:00
testcases_taylor.REMOVED.git-id generalise translations; does not give right values yety 2018-02-08 05:01:41 +02:00
timetrack.py Move time tracking functions to separate file. 2017-05-10 11:43:11 +03:00
tiny_inlines.h Implement LR part of 1D in 3D Ewald sum along z-axis; compiles, untested 2018-11-24 12:51:57 +00:00
tmatrices.h Some "declarations of intent" for new C code. 2018-12-25 22:34:37 +02:00
tmatrices.py Fix group C source generation; hard-coded trivial group. 2019-03-02 21:51:49 +00:00
tmatrix_io.c Fix projections - work in progress 2019-03-12 07:01:10 +00:00
translations.c Fixes in vswf spec. 2019-03-10 13:52:12 +00:00
translations.h Translation coefficients with uvswfi 2019-03-09 07:39:11 +00:00
trivialgroup.c Fix group C source generation; hard-coded trivial group. 2019-03-02 21:51:49 +00:00
types.py separate C header file for types 2017-12-17 17:02:58 +02:00
vecprint.c indent 2018-05-06 19:13:10 +00:00
vectors.h Towards a new scattering system (scatsystem.c compiles, but with some 2019-02-26 15:33:08 +02:00
vswf.c Fix lMax_L in qpms_vswf_set_spec_from_lMax(). 2019-03-12 13:08:30 +02:00
vswf.h Convenience function to create the 'usual' bspecs. 2019-03-09 00:36:22 +00:00
wigner.c Fix call arguments at qpms_vswf_irot_elem_from_irot3() 2019-02-25 21:39:20 +02:00
wigner.h Fix quaternion conjugation order on vector rotation. 2019-03-12 22:22:02 +02:00