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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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Cython evaluation of "normal" and Ewald-summed SSWF
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2021-12-08 14:09:15 +02:00 |
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__init__.py
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Move old cython translation_calculator wrapper
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2021-12-09 11:18:14 +02:00 |
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analysis.py
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analysis: fix symmetry group info
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2022-01-03 23:51:13 +02:00 |
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argproc.py
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Some features to enable ScatteringSystem reconstruction
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2020-07-03 23:04:53 +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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Silent NAN (with warning) instead of crash for singular Bessel at zero
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2020-11-17 10:57:16 +02:00 |
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beyn.c
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Include vlen in the solver (yet another regression from 087cd1c)
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2021-09-21 09:59:26 +03:00 |
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beyn.h
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extern "C" in headers
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2022-03-30 09:47:06 +03:00 |
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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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BaseSpec "constructor" from C pointer.
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2021-08-21 19:05:49 +03:00 |
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cybspec.pyx
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BaseSpec "constructor" from C pointer.
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2021-08-21 19:05:49 +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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Cython evaluation of "normal" and Ewald-summed SSWF
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2021-12-08 14:09:15 +02:00 |
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cyewaldtest.pyx
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Cython evaluation of "normal" and Ewald-summed SSWF
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2021-12-08 14:09:15 +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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Fix Ag Drude-Lorentz parameters also in the Python version.
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2020-07-08 19:37:13 +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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Fix CQuat.from_rotvector()
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2021-02-08 08:47:40 +02:00 |
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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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Dummy (zero) T-matrix generator
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2022-04-04 09:43:02 +03:00 |
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cytranslations_legacy.pyx
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Move old cython translation_calculator wrapper
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2021-12-09 11:18:14 +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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Fix Drude Parameters
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2020-07-08 16:00:33 +03:00 |
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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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Restructure headers to ensure ewald.h C++ compatibility
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2022-03-30 10:58:07 +03:00 |
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ewald.h
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Restructure headers to ensure ewald.h C++ compatibility
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2022-03-30 10:58:07 +03:00 |
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ewaldsf.c
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Missing include
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2022-03-30 13:07:27 +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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extern "C" in headers
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2022-03-30 09:47:06 +03:00 |
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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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extern "C" in headers
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2022-03-30 09:47:06 +03:00 |
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indexing.h
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Indexing.h C++ compatibility; flag C++ incompatible headers.
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2022-03-30 11:15:18 +03:00 |
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kahansum.h
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extern "C" in headers
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2022-03-30 09:47:06 +03:00 |
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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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PGen_shifted shifted point metagenerator
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2020-05-31 13:30:34 +03:00 |
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lattices.h
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Indexing.h C++ compatibility; flag C++ incompatible headers.
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2022-03-30 11:15:18 +03:00 |
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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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Cleanup of legacy files.
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2020-06-29 09:29:40 +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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Replace "complex" with "_Complex" in headers
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2022-03-30 09:06:47 +03:00 |
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materials.h
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extern "C" in headers
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2022-03-30 09:47:06 +03:00 |
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normalisation.h
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Indexing.h C++ compatibility; flag C++ incompatible headers.
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2022-03-30 11:15:18 +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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oshacks.h
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Doxygen annotations of header files.
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2020-06-29 09:14:19 +03:00 |
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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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extern "C" in headers
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2022-03-30 09:47:06 +03:00 |
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pointgroups.c
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Replace "complex" with "_Complex" in headers
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2022-03-30 09:06:47 +03:00 |
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pointgroups.h
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extern "C" in headers
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2022-03-30 09:47:06 +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
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Docs: Add overview of CLI utilities; optimisation TODO
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2020-07-02 22:49:12 +03:00 |
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qpms_c.pxd
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ScatteringSystem, ... definitions to pxd file
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2021-12-08 14:09:15 +02:00 |
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qpms_c.py
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"Basis fields" for finite systems.
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2021-12-08 14:09:15 +02:00 |
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qpms_c.pyx
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Expose more testing functions via cython api.
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2021-12-21 12:42:23 +02:00 |
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qpms_cdefs.pxd
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Dummy (zero) T-matrix generator
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2022-04-04 09:43:02 +03:00 |
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qpms_error.h
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extern "C" in headers
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2022-03-30 09:47:06 +03:00 |
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qpms_p.py
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Cleanup of legacy files.
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2020-06-29 09:29:40 +03:00 |
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qpms_specfunc.h
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extern "C" in headers
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2022-03-30 09:47:06 +03:00 |
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qpms_types.h
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extern "C" in headers
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2022-03-30 09:47:06 +03:00 |
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qpmsblas.h
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extern "C" in headers
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2022-03-30 09:47:06 +03:00 |
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quaternions.h
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extern "C" in headers
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2022-03-30 09:47:06 +03:00 |
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scatsystem.c
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Restructure headers to ensure ewald.h C++ compatibility
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2022-03-30 10:58:07 +03:00 |
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scatsystem.h
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extern "C" in headers
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2022-03-30 09:47:06 +03:00 |
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scatsystem_dbg.c
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Cython evaluation of "normal" and Ewald-summed SSWF
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2021-12-08 14:09:15 +02:00 |
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scatsystem_dbg.h
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Replace "complex" with "_Complex" in headers
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2022-03-30 09:06:47 +03:00 |
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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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extern "C" in headers
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2022-03-30 09:47:06 +03:00 |
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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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tiny_inlines.h
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Replace "complex" with "_Complex" in headers
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2022-03-30 09:06:47 +03:00 |
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tmatrices.c
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Dummy (zero) T-matrix generator
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2022-04-04 09:43:02 +03:00 |
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tmatrices.h
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Dummy (zero) T-matrix generator
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2022-04-04 09:43:02 +03:00 |
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tmatrices.py
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Cleanup of legacy files.
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2020-06-29 09:29:40 +03:00 |
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tolerances.h
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extern "C" in headers
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2022-03-30 09:47:06 +03:00 |
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translations.c
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Restructure headers to ensure ewald.h C++ compatibility
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2022-03-30 10:58:07 +03:00 |
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translations.h
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extern "C" in headers
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2022-03-30 09:47:06 +03:00 |
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translations_dbg.c
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Restructure headers to ensure ewald.h C++ compatibility
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2022-03-30 10:58:07 +03:00 |
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translations_dbg.h
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Comments, doxygen
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2022-04-24 22:30:46 +03:00 |
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translations_inlines.h
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Replace "complex" with "_Complex" in headers
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2022-03-30 09:06:47 +03:00 |
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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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Replace "complex" with "_Complex" in headers
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2022-03-30 09:06:47 +03:00 |
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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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vectors.h explicit type conversions for C++ compatibility
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2022-03-30 09:59:04 +03:00 |
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vswf.c
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VSWF fill test, fix memory issue
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2022-03-30 14:03:49 +03:00 |
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vswf.h
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Comments, doxygen
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2022-04-24 22:30:46 +03:00 |
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wigner.c
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Replace "complex" with "_Complex" in headers
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2022-03-30 09:06:47 +03:00 |
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