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qpms/qpms
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Marek Nečada 24c3ff386c Fix obvious errors caught by compiler 2022-10-22 17:28:40 +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 Cython evaluation of "normal" and Ewald-summed SSWF 2022-06-22 12:33:48 +03:00
__init__.py Move old cython translation_calculator wrapper 2022-06-22 12:33:48 +03:00
analysis.py analysis: fix symmetry group info 2022-06-22 12:33:48 +03:00
argproc.py vswf set specification support for "single particle type" scripts 2022-06-23 09:12:27 +03:00
assert_cython_workaround.h The calculator module now works in python 2017-04-26 14:12:29 +03:00
bessel.c Silent NAN (with warning) instead of crash for singular Bessel at zero 2020-11-17 10:57:16 +02:00
beyn.c Include vlen in the solver (yet another regression from 087cd1c) 2021-09-21 09:59:26 +03:00
beyn.h extern "C" in headers 2022-06-22 12:33:48 +03:00
constants.py Replace scipy.constants with own constants module. 2022-06-07 05:55:36 +03:00
cybspec.pxd BaseSpec "constructor" from C pointer. 2021-08-21 19:05:49 +03:00
cybspec.pyx Nicer BaseSpec.__repr__() for BaseSpec(lMax=...) 2022-06-22 12:33:48 +03:00
cycommon.pxd Split away MaterialInterpolator 2019-08-10 09:40:59 +03:00
cycommon.pyx Cython evaluation of "normal" and Ewald-summed SSWF 2022-06-22 12:33:48 +03:00
cyewaldtest.pyx Cython evaluation of "normal" and Ewald-summed SSWF 2022-06-22 12:33:48 +03:00
cymaterials.pxd Fix MaterialInterpolator memory issue 2021-10-27 23:51:54 +03:00
cymaterials.pyx Replace scipy.constants with own constants module. 2022-06-07 05:55:36 +03:00
cyquaternions.pxd More specific imports 2019-08-10 10:54:34 +03:00
cyquaternions.pyx Fix CQuat.from_rotvector() 2021-02-08 08:47:40 +02:00
cytmatrices.pxd Rewrite ScatteringSystem. Compiles, not tested. 2020-01-15 03:51:35 +02:00
cytmatrices.pyx Dummy (zero) T-matrix generator 2022-06-22 12:33:48 +03:00
cytranslations_legacy.pyx Move old cython translation_calculator wrapper 2022-06-22 12:33:48 +03:00
cywaves.pyx Expose single vswf functions to cython. 2019-08-14 11:04:42 +03:00
drudeparam_data.c Fix Drude Parameters 2020-07-08 16:00:33 +03:00
error.c Doxygenise qpms_error.h 2020-03-23 21:59:29 +02:00
ewald.c Fix obvious errors caught by compiler 2022-10-22 17:28:40 +03:00
ewald.h Restructure headers to ensure ewald.h C++ compatibility 2022-06-22 12:33:48 +03:00
ewaldsf.c Missing include 2022-06-22 12:33:48 +03:00
gaunt.c The calculator module now works in python 2017-04-26 14:12:29 +03:00
gaunt.h extern "C" in headers 2022-06-22 12:33:48 +03:00
gaunt_precompiled.c Precompiled tabulated version of gaunt coeffs + tests. 2018-02-12 23:39:51 +00:00
groups.h extern "C" in headers 2022-06-22 12:33:48 +03:00
indexing.h Nicer BaseSpec.__repr__() for BaseSpec(lMax=...) 2022-06-22 12:33:48 +03:00
kahansum.h extern "C" in headers 2022-06-22 12:33:48 +03:00
konvence Types for vswfs 2017-12-17 17:07:19 +00:00
latticegens.c Fix obvious errors caught by compiler 2022-10-22 17:28:40 +03:00
lattices.h Indexing.h C++ compatibility; flag C++ incompatible headers. 2022-06-22 12:33:48 +03:00
lattices2d.c Cleanup: eliminate bare abort()s 2020-03-26 19:19:40 +02:00
lattices2d.py Cleanup of legacy files. 2020-06-29 09:29:40 +03:00
lattices_types.h Forgotten header lattice_types.h 2022-06-22 12:33:48 +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 Replace "complex" with "_Complex" in headers 2022-06-22 12:33:48 +03:00
materials.h extern "C" in headers 2022-06-22 12:33:48 +03:00
normalisation.h Indexing.h C++ compatibility; flag C++ incompatible headers. 2022-06-22 12:33:48 +03:00
optim.h Remove build type hardcode spec. 2020-02-04 16:55:13 +02:00
oshacks.h Doxygen annotations of header files. 2020-06-29 09:14:19 +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 extern "C" in headers 2022-06-22 12:33:48 +03:00
pointgroups.c Replace "complex" with "_Complex" in headers 2022-06-22 12:33:48 +03:00
pointgroups.h extern "C" in headers 2022-06-22 12:33:48 +03:00
proftest.c Axes bugfix 2017-05-03 08:08:58 +03:00
přehled Docs: Add overview of CLI utilities; optimisation TODO 2020-07-02 22:49:12 +03:00
qpms_c.pxd ScatteringSystem, ... definitions to pxd file 2022-06-22 12:33:48 +03:00
qpms_c.py "Basis fields" for finite systems. 2022-06-22 12:33:48 +03:00
qpms_c.pyx Expose more testing functions via cython api. 2022-06-22 12:33:48 +03:00
qpms_cdefs.pxd argproc.py: enable manual specification of BaseSpec 2022-06-22 12:33:48 +03:00
qpms_error.h extern "C" in headers 2022-06-22 12:33:48 +03:00
qpms_p.py Replace scipy.constants with own constants module. 2022-06-07 05:55:36 +03:00
qpms_specfunc.h extern "C" in headers 2022-06-22 12:33:48 +03:00
qpms_types.h extern "C" in headers 2022-06-22 12:33:48 +03:00
qpmsblas.h extern "C" in headers 2022-06-22 12:33:48 +03:00
quaternions.h extern "C" in headers 2022-06-22 12:33:48 +03:00
scatsystem.c Restructure headers to ensure ewald.h C++ compatibility 2022-06-22 12:33:48 +03:00
scatsystem.h extern "C" in headers 2022-06-22 12:33:48 +03:00
scatsystem_dbg.c Cython evaluation of "normal" and Ewald-summed SSWF 2022-06-22 12:33:48 +03:00
scatsystem_dbg.h Replace "complex" with "_Complex" in headers 2022-06-22 12:33:48 +03:00
symmetries.c Cleanup: eliminate bare abort()s 2020-03-26 19:19:40 +02:00
symmetries.h extern "C" in headers 2022-06-22 12:33:48 +03:00
symmetries.py sympy fix deprecated cyclic printing init 2022-06-21 09:35:36 +03:00
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
tiny_inlines.h Replace "complex" with "_Complex" in headers 2022-06-22 12:33:48 +03:00
tmatrices.c Named constant for failed vswf index remap 2022-06-23 11:38:23 +03:00
tmatrices.h Dummy (zero) T-matrix generator 2022-06-22 12:33:48 +03:00
tmatrices.py Replace scipy.constants with own constants module. 2022-06-07 05:55:36 +03:00
tolerances.h extern "C" in headers 2022-06-22 12:33:48 +03:00
translations.c Restructure headers to ensure ewald.h C++ compatibility 2022-06-22 12:33:48 +03:00
translations.h extern "C" in headers 2022-06-22 12:33:48 +03:00
translations_dbg.c Restructure headers to ensure ewald.h C++ compatibility 2022-06-22 12:33:48 +03:00
translations_dbg.h Comments, doxygen 2022-06-22 12:33:48 +03:00
translations_inlines.h Replace "complex" with "_Complex" in headers 2022-06-22 12:33:48 +03:00
translations_python.c Cleanup: eliminate bare abort()s 2020-03-26 19:19:40 +02:00
trivialgroup.c Replace "complex" with "_Complex" in headers 2022-06-22 12:33:48 +03:00
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 vectors.h explicit type conversions for C++ compatibility 2022-06-22 12:33:48 +03:00
version.c.in Initial version info in the C library 2022-06-21 06:25:22 +03:00
version.h Initial version info in the C library 2022-06-21 06:25:22 +03:00
vswf.c Named constant for failed vswf index remap 2022-06-23 11:38:23 +03:00
vswf.h Named constant for failed vswf index remap 2022-06-23 11:38:23 +03:00
wigner.c Replace "complex" with "_Complex" in headers 2022-06-22 12:33:48 +03:00