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apps
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Start restructuring the directory tree
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2019-06-17 17:25:44 +03:00 |
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data
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Precompiled tabulated version of gaunt coeffs + tests.
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2018-02-12 23:39:51 +00:00 |
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tests
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Start modifying the tests structure.
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2019-08-17 13:57:24 +03:00 |
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BUGS.rst
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Wrong radial part of longitudinal waves -> BUGS file
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2018-02-04 22:23:02 +00:00 |
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CMakeLists.txt
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xy-periodic lattice scattering support in ScatteringSystem
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2020-03-06 14:46:00 +02:00 |
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__init__.py
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Don't import legacy code to speed up qpms import.
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2019-12-14 09:17:29 +02:00 |
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argproc.py
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Infinite rect lattices script multiple freqs etc.
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2020-04-05 21:41:15 +03:00 |
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assert_cython_workaround.h
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The calculator module now works in python
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2017-04-26 14:12:29 +03:00 |
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bessel.c
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Make infinite rect lat. / real freq. SVD work with ScatteringSystem.
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2020-03-27 14:48:15 +02:00 |
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beyn.c
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Beyn algorithm "cherry-pick" from 'newbeyn_unitcell'
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2020-02-04 20:19:42 +02:00 |
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beyn.h
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Beyn algorithm "cherry-pick" from 'newbeyn_unitcell'
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2020-02-04 20:19:42 +02:00 |
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constants.py
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New CLI argument processing
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2019-12-14 08:54:43 +02:00 |
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cybspec.pxd
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More specific imports
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2019-08-10 10:54:34 +03:00 |
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cybspec.pyx
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VSWFNorm IntFlag / IntEnum fallback
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2019-08-15 15:19:54 +03:00 |
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cycommon.pxd
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Split away MaterialInterpolator
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2019-08-10 09:40:59 +03:00 |
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cycommon.pyx
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Try to recover from failed quadrature.
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2019-11-12 07:18:20 +02:00 |
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cymaterials.pxd
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Make the additional Drude-Lorentz parameters available from Python
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2019-11-06 12:04:52 +02:00 |
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cymaterials.pyx
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Some little docstrings.
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2020-04-03 21:55:11 +03:00 |
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cyquaternions.pxd
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More specific imports
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2019-08-10 10:54:34 +03:00 |
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cyquaternions.pyx
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More specific imports
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2019-08-10 10:54:34 +03:00 |
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cytmatrices.pxd
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Rewrite ScatteringSystem. Compiles, not tested.
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2020-01-15 03:51:35 +02:00 |
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cytmatrices.pyx
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Some little docstrings.
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2020-04-03 21:55:11 +03:00 |
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cytranslations.pyx
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Complexify wavenumber in (finite) translation operators.
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2019-11-06 18:13:50 +02:00 |
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cywaves.pyx
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Expose single vswf functions to cython.
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2019-08-14 11:04:42 +03:00 |
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drudeparam_data.c
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Some more Drude-Lorentz data from drudelorentz.com
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2019-11-04 21:42:19 +02:00 |
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error.c
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Doxygenise qpms_error.h
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2020-03-23 21:59:29 +02:00 |
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ewald.c
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Cleanup: eliminate bare abort()s
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2020-03-26 19:19:40 +02:00 |
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ewald.h
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Allow to select only either of long/short range Ewald sum parts
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2019-11-04 09:38:23 +02:00 |
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ewaldsf.c
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Remove the branch cut at negative real axis in Ewald sum.
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2019-10-09 13:20:20 +03:00 |
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gaunt.c
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The calculator module now works in python
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2017-04-26 14:12:29 +03:00 |
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gaunt.h
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Precompiled tabulated version of gaunt coeffs + tests.
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2018-02-12 23:39:51 +00:00 |
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gaunt_precompiled.c
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Precompiled tabulated version of gaunt coeffs + tests.
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2018-02-12 23:39:51 +00:00 |
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groups.h
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Irrep-decomposed scatsys beyn; fix missing FinitePointGroup reference
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2020-02-04 20:19:42 +02:00 |
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hexpoints.py
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Split trans_calculator to a separate extension
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2019-08-10 08:57:24 +03:00 |
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hexpoints_c.pyx
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Fix memory corruption, python package installability
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2018-05-15 14:37:05 +03:00 |
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indexing.h
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Branch hints in frequently used inlines
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2019-08-17 12:02:08 +03:00 |
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kahansum.h
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Kahansum fix header
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2018-05-14 18:35:28 +00:00 |
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konvence
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Types for vswfs
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2017-12-17 17:07:19 +00:00 |
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latticegens.c
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Cleanup: eliminate bare abort()s
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2020-03-26 19:19:40 +02:00 |
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lattices.h
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General heap-based lattice point generator compiles, untested.
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2020-02-25 17:59:33 +02:00 |
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lattices2d.c
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Cleanup: eliminate bare abort()s
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2020-03-26 19:19:40 +02:00 |
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lattices2d.py
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nd generalisation of function for reciprocal basis
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2017-08-03 08:11:28 +00:00 |
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legacy.py
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Fix of the previous
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2017-05-08 20:20:57 +03:00 |
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legendre.c
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Cython bindings for "pi, tau" functions
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2019-08-13 17:18:39 +03:00 |
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lll.c
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Variable Lovász condition parameter
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2019-08-25 21:17:23 +03:00 |
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materials.c
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Fix sign in Drude-Lorentz model.
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2019-11-08 09:36:12 +02:00 |
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materials.h
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Some new convenience functions and types.
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2020-01-08 14:39:29 +02:00 |
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modules.rst
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Description of the modules, todos, remove unused imports.
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2017-07-11 11:57:03 +03:00 |
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normalisation.h
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Branch hints in frequently used inlines
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2019-08-17 12:02:08 +03:00 |
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optim.h
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Remove build type hardcode spec.
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2020-02-04 16:55:13 +02:00 |
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own_zgemm.c
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Try whether Triton behaves better if the parallelized code uses no OpenBLAS.
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2019-03-29 13:17:28 +02:00 |
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parsing.c
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Separate double parsing functions.
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2019-06-20 06:27:08 +03:00 |
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parsing.h
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Separate double parsing functions.
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2019-06-20 06:27:08 +03:00 |
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pointgroups.c
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This might somehow more stable
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2019-07-25 07:59:43 +03:00 |
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pointgroups.h
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This might somehow more stable
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2019-07-25 07:59:43 +03:00 |
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proftest.c
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Axes bugfix
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2017-05-03 08:08:58 +03:00 |
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přehled.md
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Bessel transform mathematica results etc.
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2018-01-15 15:14:15 +02:00 |
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qpms_c.pxd
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More specific imports
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2019-08-10 10:54:34 +03:00 |
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qpms_c.pyx
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Some little docstrings.
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2020-04-03 21:55:11 +03:00 |
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qpms_cdefs.pxd
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More cdefs from vectors.h
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2020-04-05 02:19:48 +03:00 |
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qpms_error.h
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Doxygenise qpms_error.h
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2020-03-23 21:59:29 +02:00 |
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qpms_p.py
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Minor stuff.
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2019-10-05 20:38:04 +03:00 |
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qpms_specfunc.h
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Cython bindings for "pi, tau" functions
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2019-08-13 17:18:39 +03:00 |
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qpms_types.h
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Finer error handling.
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2020-03-23 12:07:43 +02:00 |
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qpmsblas.h
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Try whether Triton behaves better if the parallelized code uses no OpenBLAS.
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2019-03-29 13:17:28 +02:00 |
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quaternions.h
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This might somehow more stable
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2019-07-25 07:59:43 +03:00 |
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scatsystem.c
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Cleanup: eliminate bare abort()s
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2020-03-26 19:19:40 +02:00 |
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scatsystem.h
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Allow different Bessel kind in scattered_E
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2020-03-23 12:01:04 +02:00 |
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scattering.py
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Fix memory corruption, python package installability
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2018-05-15 14:37:05 +03:00 |
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scripts_common.py
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New CLI argument processing
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2019-12-14 08:54:43 +02:00 |
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symmetries.c
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Cleanup: eliminate bare abort()s
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2020-03-26 19:19:40 +02:00 |
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symmetries.h
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Roundoff error cleaning for zeros.
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2019-03-06 17:50:11 +00:00 |
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symmetries.py
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Fix imports in symmetries.py
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2019-12-19 05:30:46 +02:00 |
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test_gaunt.c
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Precompiled tabulated version of gaunt coeffs + tests.
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2018-02-12 23:39:51 +00:00 |
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test_translations.c
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generalise translations; does not give right values yety
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2018-02-08 05:01:41 +02:00 |
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test_translations2.c
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generalise translations; does not give right values yety
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2018-02-08 05:01:41 +02:00 |
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test_translations_xu_multipliers.c
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"fix" the q ranges for the B coefficients in translations.c
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2018-03-07 21:32:05 +02:00 |
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test_vswf_pitau.c
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Rozbil jsem to, jdu domů.
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2018-01-30 01:09:48 +02:00 |
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testcases_taylor.REMOVED.git-id
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generalise translations; does not give right values yety
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2018-02-08 05:01:41 +02:00 |
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timetrack.py
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Move time tracking functions to separate file.
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2017-05-10 11:43:11 +03:00 |
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tiny_inlines.h
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Implement LR part of 1D in 3D Ewald sum along z-axis; compiles, untested
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2018-11-24 12:51:57 +00:00 |
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tmatrices.c
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Cleanup: eliminate bare abort()s
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2020-03-26 19:19:40 +02:00 |
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tmatrices.h
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Implement previously forgotten functions.
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2020-01-16 07:52:50 +02:00 |
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tmatrices.py
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Make the splitted setup work
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2019-08-10 08:08:16 +03:00 |
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tolerances.h
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Reduce tolerances as a workaround for inprecise integration.
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2020-03-18 09:34:05 +02:00 |
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translations.c
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Fix memory leaks; use error macros
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2020-02-04 16:55:07 +02:00 |
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translations.h
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Complexify wavenumber in (finite) translation operators.
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2019-11-06 18:13:50 +02:00 |
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translations_inlines.h
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Extract and inline translation matrix reordering procedure.
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2020-01-23 16:16:41 +02:00 |
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translations_python.c
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Cleanup: eliminate bare abort()s
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2020-03-26 19:19:40 +02:00 |
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trivialgroup.c
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Fix group C source generation; hard-coded trivial group.
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2019-03-02 21:51:49 +00:00 |
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types.py
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separate C header file for types
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2017-12-17 17:02:58 +02:00 |
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vecprint.c
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indent
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2018-05-06 19:13:10 +00:00 |
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vectors.h
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More cdefs from vectors.h
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2020-04-05 02:19:48 +03:00 |
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vswf.c
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Fix critical bug in qpms_vecspharm_fill()
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2020-04-05 01:43:38 +03:00 |
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vswf.h
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Finer error handling.
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2020-03-23 12:07:43 +02:00 |
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wigner.c
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Cleanup: eliminate bare abort()s
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2020-03-26 19:19:40 +02:00 |
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