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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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Initial version info in the C library
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2022-06-21 06:25:22 +03:00 |
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__init__.py
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Fix __version__, pdf annotate function
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2022-06-21 08:49:23 +03:00 |
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argproc.py
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Fix __version__, pdf annotate function
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2022-06-21 08:49:23 +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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[WIP;BROKEN] Getting rid of gsl linear algebra in Beyn.
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2021-06-11 11:11:17 +03:00 |
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constants.py
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Replace scipy.constants with own constants module.
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2022-06-07 05:55:36 +03:00 |
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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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Enable separation of long- and short-range of Ewald sum in python
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2022-06-22 12:33:48 +03:00 |
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cyewaldtest.pyx
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Infinite periodic system scattered field "bases"
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2020-07-23 07:23:47 +03:00 |
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cymaterials.pxd
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Fix MaterialInterpolator memory issue
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2021-10-27 23:51:54 +03:00 |
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cymaterials.pyx
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Replace scipy.constants with own constants module.
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2022-06-07 05:55:36 +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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Custom python T-matrix generators
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2021-08-22 09:01:16 +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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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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Ewald sum optimisation
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2020-07-03 11:46:34 +03:00 |
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ewald.h
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Enable separation of long- and short-range of Ewald sum in python
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2022-06-22 12:33:48 +03:00 |
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ewaldsf.c
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Alternative approach in recursive "Delta" to avoid overflows.
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2020-07-21 05:07:23 +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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Doxygen annotations of header files.
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2020-06-29 09:14:19 +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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Irrep-decomposed scatsys beyn; fix missing FinitePointGroup reference
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2020-02-04 20:19:42 +02:00 |
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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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Doxygen annotations of header files.
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2020-06-29 09:14:19 +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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PGen_shifted shifted point metagenerator
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2020-05-31 13:30:34 +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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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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Doxygen annotations of header files.
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2020-06-29 09:14:19 +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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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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Doxygen annotations of header files.
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2020-06-29 09:14:19 +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
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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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More specific imports
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2019-08-10 10:54:34 +03:00 |
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qpms_c.py
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"Basis fields" for finite systems.
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2022-06-22 12:33:48 +03:00 |
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qpms_c.pyx
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Enable separation of long- and short-range of Ewald sum in python
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2022-06-22 12:33:48 +03:00 |
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qpms_cdefs.pxd
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Enable separation of long- and short-range of Ewald sum in python
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2022-06-22 12:33:48 +03:00 |
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qpms_error.h
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Workaround for crashing spherical Bessel funcs at large distance.
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2020-09-02 12:15:26 +03:00 |
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qpms_p.py
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Replace scipy.constants with own constants module.
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2022-06-07 05:55:36 +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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Enable separation of long- and short-range of Ewald sum in python
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2022-06-22 12:33:48 +03:00 |
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qpmsblas.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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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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Enable separation of long- and short-range of Ewald sum in python
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2022-06-22 12:33:48 +03:00 |
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scatsystem.h
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Enable separation of long- and short-range of Ewald sum in python
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2022-06-22 12:33:48 +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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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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sympy fix deprecated cyclic printing init
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2022-06-21 09:35:36 +03:00 |
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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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Doxygen annotations of header files.
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2020-06-29 09:14:19 +03:00 |
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tmatrices.c
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Move MIN,MAX,SQ macros to a common header
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2020-04-26 17:07:59 +03:00 |
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tmatrices.h
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Fix syntax error which gcc tolerated
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2020-04-11 10:05:28 +03:00 |
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tmatrices.py
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Replace scipy.constants with own constants module.
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2022-06-07 05:55:36 +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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Don't pass XYONLY flag when it's not XYONLY
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2020-06-01 16:37:12 +03:00 |
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translations.h
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Evaluate scattered electric fields in 2d-periodic system.
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2020-05-31 16:34:09 +03:00 |
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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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version.c.in
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Initial version info in the C library
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2022-06-21 06:25:22 +03:00 |
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version.h
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Initial version info in the C library
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2022-06-21 06:25:22 +03:00 |
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vswf.c
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BaseSpec __eq__() and __hash__()
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2020-04-07 19:32:58 +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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Move MIN,MAX,SQ macros to a common header
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2020-04-26 17:07:59 +03:00 |
8abe7e3357