Marek Nečada
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43c2de4f35
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CMakeLists for Faddeeva
Former-commit-id: 26b0e909cc50ca962b83d411f67a98f2a21cf259
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2020-05-19 15:52:08 +03:00 |
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Marek Nečada
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231a76529d
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Quit Fortran dependencies, using own f2c'd version of amos.
TODO doc; submodule init needed
Former-commit-id: 761fc06adffebb05d28a389243771f0bdde70cc0
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2020-04-10 23:19:18 +03:00 |
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Marek Nečada
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3791db2060
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xy-periodic lattice scattering support in ScatteringSystem
Gives same results as newbeyn_unitcell 26d6e969
Former-commit-id: 112ab071f41ee556716da67219d859c1dc50ac1d
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2020-03-06 14:46:00 +02:00 |
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Marek Nečada
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609b6e6265
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Extract and inline translation matrix reordering procedure.
Former-commit-id: 327e1ccf9efc26647896db5bbe1a1a4e4d034d3c
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2020-01-23 16:16:41 +02:00 |
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Marek Nečada
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3da4ec6b07
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Disable useless compiler warnings.
(To be enabled again later during code cleanup.)
Former-commit-id: b89a16fad5d13d2f39f550b3e5e2e9b991908821
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2020-01-20 12:22:45 +02:00 |
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Marek Nečada
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c2b4787cd5
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Implementation of qpms_tmatrix_apply_operation().
Former-commit-id: 6773f0e1d02d5f929c2039f99338f08c25d0ccab
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2020-01-07 08:14:06 +02:00 |
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Marek Nečada
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d79a35110c
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Merge branch 'beyn_rework'
Former-commit-id: 3366b1421056a2ac097b79f62bfbccd82d87de1b
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2019-11-04 09:43:44 +02:00 |
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Marek Nečada
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7e74cb100c
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Experimental speedup by earlier cutoff for Ewald summation.
TODO check whether PGen is properly destroyed
Former-commit-id: db2c64292b9c1bd80e97255bf71e570385b409a4
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2019-09-30 17:57:06 +03:00 |
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Marek Nečada
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0ea3510575
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Lenstra-Lenstra-Lovász lattice basis reduction.
Former-commit-id: 3ada9f1ebf783d07c31671fd81cb6f7d6fe6187b
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2019-08-25 18:58:05 +03:00 |
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Marek Nečada
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b52942a5e5
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WIP real->complex cleanup in beyn algorithm.
Former-commit-id: 2cfe5b0c87924ab04255d36e46ee3c603f25ba6d
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2019-08-21 13:05:17 +03:00 |
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Marek Nečada
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3e6f004605
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Compiler warnings, doxygen fixes
Former-commit-id: 2686ab2db0a61327db1ef5ce3799f3e88fea0f49
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2019-08-16 11:17:59 +03:00 |
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Marek Nečada
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2e037550b5
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Build libqpms as shared library.
Former-commit-id: 218d30a8502e5ea5814e4d8e119b750ca93d257f
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2019-08-12 16:33:54 +03:00 |
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Marek Nečada
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0504f98bc0
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Make the splitted setup work
Former-commit-id: 9c8a7e4d1131c40ceb27a4b1a9c54d80c319394b
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2019-08-10 08:08:16 +03:00 |
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Marek Nečada
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c4ed9852a6
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Lorentz-Drude permittivity model (+LD params for Au, Ag)
Former-commit-id: 76878ee0ec2dd9c7db06febe4266f5537e5d9376
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2019-08-08 17:16:07 +03:00 |
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Marek Nečada
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8158cef41c
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Move material properties-related stuff to materials.[ch]
Former-commit-id: 0039b167488c5aca55ea1912e43ec3ab8b289c1e
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2019-08-08 15:33:06 +03:00 |
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Marek Nečada
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1ec776c8a8
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New qpms_normalisation_t also in scatsystem.c; python module now
compiles.
Former-commit-id: ac877f894c124660f399bb3e70ed05ca42f565cb
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2019-07-14 20:56:23 +03:00 |
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Marek Nečada
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44b5e4df79
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Separate double parsing functions.
Former-commit-id: 809f28b4b0c4bfba98a2981abf2c17c0ea0a0e65
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2019-06-20 06:27:08 +03:00 |
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Marek Nečada
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bf04cb32c0
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Fix some earlier ewald32->ewald3 renames; disable some legacy code.
Former-commit-id: 6358a491f1965108a2747a9f48054a0022bcadf6
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2019-04-03 16:41:10 +03:00 |
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Marek Nečada
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c0b2343b89
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Try whether Triton behaves better if the parallelized code uses no OpenBLAS.
Former-commit-id: ac1c17635e2d01d8a14129a90ffb43d3156510fa
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2019-03-29 13:17:28 +02:00 |
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Marek Nečada
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6ee4518bb1
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Complex Bessel functions using amos.
Not working yet, probably because of unset machine constants in i2mach.f, d1mach.f.
Former-commit-id: 94a15b3bbbcb26b21533866c984076aeefcecb5e
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2019-03-20 20:48:01 +02:00 |
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Marek Nečada
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959bb09526
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More CMakeLists.txt additions.
Former-commit-id: a013013072fc854abcc7e5cc8366e1979ce4d3ba
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2019-03-20 14:13:41 +02:00 |
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Marek Nečada
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31bab5225f
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Initial CMakeLists.txt
Former-commit-id: a5ddf172f707e94cb7d823750ff0e2bb0524e432
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2019-03-19 14:33:44 +00:00 |