qpms/qpms
Marek Nečada 044dd9bdd7 Ensure dimensionality in reading/processing W-files
Former-commit-id: e7daf090afa430d87418091df2f10eaf5da943bf
2019-07-05 14:23:31 +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 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
CMakeLists.txt Separate double parsing functions. 2019-06-20 06:27:08 +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 Complex Bessel functions using amos. 2019-03-20 20:48:01 +02:00
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 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 uvswf-indexed vswf evaluation 2019-06-23 22:04:00 +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 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
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
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 Debug message types 2019-03-27 09:25:47 +02:00
qpms_cdefs.pxd Debug message types 2019-03-27 09:25:47 +02:00
qpms_error.h uvswf evaluation with complex kr; ss field ewald done, untested 2019-06-24 17:20:28 +03:00
qpms_p.py Ensure dimensionality in reading/processing W-files 2019-07-05 14:23:31 +03:00
qpms_specfunc.h Complex Bessel functions using amos. 2019-03-20 20:48:01 +02:00
qpms_types.h PGen "fetch" methods: generate multiple points at once 2019-06-27 10:13:39 +03:00
qpmsblas.h Try whether Triton behaves better if the parallelized code uses no OpenBLAS. 2019-03-29 13:17:28 +02:00
scatsystem.c uvswf evaluation with complex kr; ss field ewald done, untested 2019-06-24 17:20:28 +03:00
scatsystem.h Scatsystem E-field evaluation WIP 2019-06-24 15:12:06 +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 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 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 Don't be quiet when loading a NAN-containing t-matrix 2019-06-19 12:47:31 +03:00
tmatrices.h Reimplementation of qpms_permittivity_interpolator_t. 2019-03-24 14:28:09 +00:00
tmatrices.py Fix M, N reordering in python T-matrix loader. 2019-03-18 09:35:10 +02:00
translations.c Fix some earlier ewald32->ewald3 renames; disable some legacy code. 2019-04-03 16:41:10 +03:00
translations.h Fix some earlier ewald32->ewald3 renames; disable some legacy code. 2019-04-03 16:41:10 +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 PGen "fetch" methods: generate multiple points at once 2019-06-27 10:13:39 +03:00
vswf.c uvswf evaluation with complex kr; ss field ewald done, untested 2019-06-24 17:20:28 +03:00
vswf.h uvswf evaluation with complex kr; ss field ewald done, untested 2019-06-24 17:20:28 +03:00
wigner.c Fix call arguments at qpms_vswf_irot_elem_from_irot3() 2019-02-25 21:39:20 +02:00
wigner.h The quaternions were apparently correct after all (except for the ordering of conjugation in vector rotation). 2019-03-15 21:14:59 +00:00