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Marek Nečada b939b1c177 I realised this approach is wrong. 
I must do the quaternion sorting in otherway, probably using a separate
tree for each component (then what?).


Former-commit-id: 6de715751ddd41f6ffc72b274cadf58a765b3edd
 		2019-07-24 19:06:29 +03:00
..
apps Start restructuring the directory tree 2019-06-17 17:25:44 +03:00
data Precompiled tabulated version of gaunt coeffs + tests. 2018-02-12 23:39:51 +00:00
tests Merge branch 'newnorm' 2019-07-14 21:01:31 +03:00
BUGS.rst Wrong radial part of longitudinal waves -> BUGS file 2018-02-04 22:23:02 +00:00
CMakeLists.txt New qpms_normalisation_t also in scatsystem.c; python module now 2019-07-14 20:56:23 +03:00
__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 Translation operators with the new qpms_normalisation_t 2019-07-12 15:07:15 +03:00
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 Debug message types 2019-03-27 09:25:47 +02:00
ewald.c Doxygen, TODO list. 2019-06-27 16:42:35 +03:00
ewald.h Doxygen, TODO list. 2019-06-27 16:42:35 +03:00
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 Move some legacy code from qpms_types.h to normalisation.h; to be pruned later. 2019-07-14 09:48:29 +03:00
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 Implement uvswf plane wave. 2019-07-15 13:00:47 +03:00
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 Replace PGEN_NEWR flag with PGEN_OLD_R with the opposite meaning. 2019-06-27 12:15:34 +03:00
lattices.h Doxygen 2019-06-27 12:17:48 +03:00
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 Redefine qpms_pitau_get to always use the "power" normalisation. 2019-07-11 14:24:27 +03:00
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
normalisation.h Move some legacy code from qpms_types.h to normalisation.h; to be pruned later. 2019-07-14 09:48:29 +03:00
own_zgemm.c Try whether Triton behaves better if the parallelized code uses no OpenBLAS. 2019-03-29 13:17:28 +02:00
parsing.c Separate double parsing functions. 2019-06-20 06:27:08 +03:00
parsing.h Separate double parsing functions. 2019-06-20 06:27:08 +03:00
pointgroups.c I realised this approach is wrong. 2019-07-24 19:06:29 +03:00
pointgroups.h Point group element generator and subgroup testing 2019-07-24 14:20:50 +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 PointGroup cython class, fix many bugs (quaternion ambiguity). 2019-07-24 18:26:12 +03:00
qpms_cdefs.pxd PointGroup cython class, fix many bugs (quaternion ambiguity). 2019-07-24 18:26:12 +03:00
qpms_error.h linewrap long macros 2019-07-15 13:58:55 +03:00
qpms_p.py Ensure dimensionality in reading/processing W-files 2019-07-05 14:23:31 +03:00
qpms_specfunc.h Rewrite vswf.c to use the new qpms_normalisation_t 2019-07-11 16:57:15 +03:00
qpms_types.h Point group element generator and subgroup testing 2019-07-24 14:20:50 +03:00
qpmsblas.h Try whether Triton behaves better if the parallelized code uses no OpenBLAS. 2019-03-29 13:17:28 +02:00
quaternions.h I realised this approach is wrong. 2019-07-24 19:06:29 +03:00
scatsystem.c rename wigner.h to quaternions.h 2019-07-23 23:06:44 +03:00
scatsystem.h Solve scattering problem using LU decomposition. 2019-07-23 15:50:31 +03:00
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 rename wigner.h to quaternions.h 2019-07-23 23:06:44 +03:00
symmetries.h Roundoff error cleaning for zeros. 2019-03-06 17:50:11 +00:00
symmetries.py Deterministic ordering of irreps in generated C structures 2019-03-13 23:13:41 +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.c rename wigner.h to quaternions.h 2019-07-23 23:06:44 +03:00
tmatrices.h Apply T-matrices on incident fields vector. 2019-07-22 16:56:03 +03:00
tmatrices.py Get rid of dependency on Moble's quaternions. 2019-07-21 23:37:25 +03:00
translations.c Error on (temporarily) unsupported normalisations. 2019-07-22 11:22:21 +03:00
translations.h ss build translation matrix: enable other Bessel funcs. 2019-07-21 21:14:11 +03:00
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 Implement uvswf plane wave. 2019-07-15 13:00:47 +03:00
vswf.c Implement uvswf plane wave. 2019-07-15 13:00:47 +03:00
vswf.h WIP cython wrappers for plane waves in scatsys 2019-07-15 16:36:37 +03:00
wigner.c rename wigner.h to quaternions.h 2019-07-23 23:06:44 +03:00