qpms/qpms
Marek Nečada 90458af3be Don't pass XYONLY flag when it's not XYONLY
(Caused assertion failed.)


Former-commit-id: 9765414f6c91b114cd84562d5587e586e1e244b3
2020-06-01 16:37:12 +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 Start modifying the tests structure. 2019-08-17 13:57:24 +03:00
BUGS.rst Wrong radial part of longitudinal waves -> BUGS file 2018-02-04 22:23:02 +00:00
CMakeLists.txt CMakeLists for Faddeeva 2020-05-19 15:52:08 +03:00
__init__.py Don't import legacy code to speed up qpms import. 2019-12-14 09:17:29 +02:00
argproc.py "slice" argument type in argproc.py 2020-05-03 21:29:10 +03:00
assert_cython_workaround.h The calculator module now works in python 2017-04-26 14:12:29 +03:00
bessel.c Quit Fortran dependencies, using own f2c'd version of amos. 2020-04-10 23:19:18 +03:00
beyn.c Fix eigenvalue matrix dimensions in Beyn. 2020-04-12 00:48:13 +03:00
beyn.h Beyn algorithm "cherry-pick" from 'newbeyn_unitcell' 2020-02-04 20:19:42 +02:00
constants.py New CLI argument processing 2019-12-14 08:54:43 +02:00
cybspec.pxd More specific imports 2019-08-10 10:54:34 +03:00
cybspec.pyx BaseSpec __eq__() and __hash__() 2020-04-07 19:32:58 +03:00
cycommon.pxd Split away MaterialInterpolator 2019-08-10 09:40:59 +03:00
cycommon.pyx Try to recover from failed quadrature. 2019-11-12 07:18:20 +02:00
cyewaldtest.pyx Branch selection for Δ_n in Ewald sum 2020-05-28 13:13:08 +03:00
cymaterials.pxd Make the additional Drude-Lorentz parameters available from Python 2019-11-06 12:04:52 +02:00
cymaterials.pyx Some little docstrings. 2020-04-03 21:55:11 +03:00
cyquaternions.pxd More specific imports 2019-08-10 10:54:34 +03:00
cyquaternions.pyx More specific imports 2019-08-10 10:54:34 +03:00
cytmatrices.pxd Rewrite ScatteringSystem. Compiles, not tested. 2020-01-15 03:51:35 +02:00
cytmatrices.pyx More general script for 2D lattice modes. 2020-04-13 08:25:46 +03:00
cytranslations.pyx Complexify wavenumber in (finite) translation operators. 2019-11-06 18:13:50 +02:00
cywaves.pyx Expose single vswf functions to cython. 2019-08-14 11:04:42 +03:00
drudeparam_data.c Some more Drude-Lorentz data from drudelorentz.com 2019-11-04 21:42:19 +02:00
error.c Doxygenise qpms_error.h 2020-03-23 21:59:29 +02:00
ewald.c Evaluate scattered electric fields in 2d-periodic system. 2020-05-31 16:34:09 +03:00
ewald.h Constant factors in general (off-plane) Ewald 2D-in-3D sum 2020-05-30 22:39:20 +03:00
ewaldsf.c Branch selection for Δ_n in Ewald sum 2020-05-28 13:13:08 +03:00
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 Irrep-decomposed scatsys beyn; fix missing FinitePointGroup reference 2020-02-04 20:19:42 +02:00
hexpoints.py Split trans_calculator to a separate extension 2019-08-10 08:57:24 +03:00
hexpoints_c.pyx Fix memory corruption, python package installability 2018-05-15 14:37:05 +03:00
indexing.h Branch hints in frequently used inlines 2019-08-17 12:02:08 +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 PGen_shifted shifted point metagenerator 2020-05-31 13:30:34 +03:00
lattices.h PGen_shifted shifted point metagenerator 2020-05-31 13:30:34 +03:00
lattices2d.c Cleanup: eliminate bare abort()s 2020-03-26 19:19:40 +02:00
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 Cython bindings for "pi, tau" functions 2019-08-13 17:18:39 +03:00
lll.c Variable Lovász condition parameter 2019-08-25 21:17:23 +03:00
materials.c Fix sign in Drude-Lorentz model. 2019-11-08 09:36:12 +02:00
materials.h Some new convenience functions and types. 2020-01-08 14:39:29 +02:00
modules.rst Description of the modules, todos, remove unused imports. 2017-07-11 11:57:03 +03:00
normalisation.h Branch hints in frequently used inlines 2019-08-17 12:02:08 +03:00
optim.h Remove build type hardcode spec. 2020-02-04 16:55:13 +02:00
oshacks.h Dummy CPU number hack for systems without the sysconf option. 2020-04-11 10:01:12 +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 This might somehow more stable 2019-07-25 07:59:43 +03:00
pointgroups.h This might somehow more stable 2019-07-25 07:59:43 +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.pxd More specific imports 2019-08-10 10:54:34 +03:00
qpms_c.pyx Evaluate scattered electric fields in 2d-periodic system. 2020-05-31 16:34:09 +03:00
qpms_cdefs.pxd Evaluate scattered electric fields in 2d-periodic system. 2020-05-31 16:34:09 +03:00
qpms_error.h Doxygenise qpms_error.h 2020-03-23 21:59:29 +02:00
qpms_p.py Minor stuff. 2019-10-05 20:38:04 +03:00
qpms_specfunc.h Cython bindings for "pi, tau" functions 2019-08-13 17:18:39 +03:00
qpms_types.h long double literals instead of doubles 2020-05-19 15:52:47 +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 This might somehow more stable 2019-07-25 07:59:43 +03:00
scatsystem.c Evaluate scattered electric fields in 2d-periodic system. 2020-05-31 16:34:09 +03:00
scatsystem.h Evaluate scattered electric fields in 2d-periodic system. 2020-05-31 16:34:09 +03:00
scattering.py Fix memory corruption, python package installability 2018-05-15 14:37:05 +03:00
scripts_common.py New CLI argument processing 2019-12-14 08:54:43 +02:00
symmetries.c Cleanup: eliminate bare abort()s 2020-03-26 19:19:40 +02:00
symmetries.h Roundoff error cleaning for zeros. 2019-03-06 17:50:11 +00:00
symmetries.py Fix imports in symmetries.py 2019-12-19 05:30:46 +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 Move MIN,MAX,SQ macros to a common header 2020-04-26 17:07:59 +03:00
tmatrices.c Move MIN,MAX,SQ macros to a common header 2020-04-26 17:07:59 +03:00
tmatrices.h Fix syntax error which gcc tolerated 2020-04-11 10:05:28 +03:00
tmatrices.py Make the splitted setup work 2019-08-10 08:08:16 +03:00
tolerances.h Reduce tolerances as a workaround for inprecise integration. 2020-03-18 09:34:05 +02:00
translations.c Don't pass XYONLY flag when it's not XYONLY 2020-06-01 16:37:12 +03:00
translations.h Evaluate scattered electric fields in 2d-periodic system. 2020-05-31 16:34:09 +03:00
translations_inlines.h Extract and inline translation matrix reordering procedure. 2020-01-23 16:16:41 +02:00
translations_python.c Cleanup: eliminate bare abort()s 2020-03-26 19:19:40 +02:00
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 More cdefs from vectors.h 2020-04-05 02:19:48 +03:00
vswf.c BaseSpec __eq__() and __hash__() 2020-04-07 19:32:58 +03:00
vswf.h Finer error handling. 2020-03-23 12:07:43 +02:00
wigner.c Move MIN,MAX,SQ macros to a common header 2020-04-26 17:07:59 +03:00