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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1b63d75153
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PointGroup cython class, fix many bugs (quaternion ambiguity).
Former-commit-id: 16835b9f03c4fbb28c414ce9844cabb30aabfb00
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2019-07-24 18:26:12 +03:00 |
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Marek Nečada
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9c7d69dc5c
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Get rid of dependency on Moble's quaternions.
Former-commit-id: 182aeda66992aa43c2c172c28a199feba0d6878f
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2019-07-21 23:37:25 +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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2af9b83e35
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Move T-matrix -related C code to scatsystem.[ch]
Former-commit-id: e9a162c14fe5d91281d79d9af08014787cd7ed13
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2019-03-18 15:04:21 +02:00 |
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Marek Nečada
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98da54946c
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Parallel mode problem matrix creation.
Former-commit-id: a81323f6ba53fc5e790e489314bca98f6ae1ca0a
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2019-03-18 01:06:04 +00:00 |
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Marek Nečada
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51d38798c3
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Some useful ScatteringSystem class functionality.
Former-commit-id: c7ae5dcd3f601b79781b685804dae5262fc2a93d
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2019-03-13 22:35:35 +02:00 |
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Marek Nečada
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a6dcd35b8d
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Revert setup.py to standard blas names and increment version.
Former-commit-id: e98c7ba026caefd85fd42288fb7e1987c96e5ad1
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2019-03-13 16:23:23 +02:00 |
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Marek Nečada
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d63dd2cae2
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Fix projections - work in progress
Former-commit-id: f2f6d3d762fc7c2d728af0cf31c1229ed8db1b1c
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2019-03-12 07:01:10 +00:00 |
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Marek Nečada
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1d77d76b80
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scatsys orbit base generator
Former-commit-id: 098c02bbab329ef54c081eda868fc16eda3c8821
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2019-03-07 04:46:19 +00:00 |
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Marek Nečada
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04923d0b45
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T-matrix reading function fix wrong nesting & other fixes.
Former-commit-id: e0a81510ec618fcc554f5ca9eee0b0a006970414
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2019-03-06 21:29:19 +00:00 |
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Marek Nečada
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8afa775428
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Misc fixes.
Former-commit-id: 36525fd6445d1bd19ffbd803644f8ddaada07be7
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2019-03-03 00:30:12 +00:00 |
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Marek Nečada
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65605c4680
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Add sympy>=1.2 to dependencies
(it has the identity attribute for PermutationGroup; used in
PointGroupInfo)
Former-commit-id: deb63942478d6726e56d20f4ddae6d6831638ed6
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2019-03-02 21:59:00 +02:00 |
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Marek Nečada
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88b3498cb3
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Update setup script and instructions.
Former-commit-id: 9f3031a2e5898b9e81374cd2deae5016bc3b65e7
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2019-02-27 10:44:58 +02:00 |
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Marek Nečada
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46edafddf7
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Restoring the original functionality of zJn with new scipy.
Former-commit-id: ad4f96885390387cb74c36a7b08a58094e3d62e5
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2019-02-27 10:26:37 +02:00 |
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Marek Nečada
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11cf5b5edc
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Update setup.py for dependencies
Former-commit-id: e9be513946c8e82032971891062b05e74a97b7f8
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2019-02-27 09:45:45 +02:00 |
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Marek Nečada
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d4ae25ff81
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irot3 to uvswf matrix
Former-commit-id: cb59876dbdaae144913422b73a121cb48cfd9984
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2019-02-26 00:40:41 +02:00 |
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Marek Nečada
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efaf3211e4
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Quaternion + determinant representation of improper rotations.
Former-commit-id: fbc101d997ae85565584a3f0ea9c583360fbabec
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2019-02-25 09:52:23 +02:00 |
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Marek Nečada
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e120464046
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Quaternion power to a real exponent.
Former-commit-id: e8dc72c04813e592dd1c5a0ccff2971374b3c99c
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2019-02-25 05:03:11 +00:00 |
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Marek Nečada
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8829f50c53
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Fix typedef syntax in vectors.h
Former-commit-id: 07ab007347ec17d4840755620bc063ef0ec10523
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2019-02-22 06:22:56 +00:00 |
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Marek Nečada
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290cfbdd90
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Remove py_gmm dependence
Former-commit-id: e73d47f74bc3e7cfe2ffe17d6987171fd3a654a1
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2019-02-21 16:05:38 +02:00 |
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Marek Nečada
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a82b93d140
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cdef extern includes to a separate file
Former-commit-id: 8952eea4fc79afbf76ade34a7ac0123b163d8619
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2019-02-18 14:42:44 +02:00 |
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Marek Nečada
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cdb3264a48
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Fix names of D3h irreps
Former-commit-id: 8ba62e17ce473b8d5333f5f2fc762b369fe12b6f
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2018-09-26 01:17:01 +00:00 |
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Marek Nečada
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726e5615af
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Wdata python processing and loading
Former-commit-id: 7c93e51efc4df0410e34c1a1770192581bf17190
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2018-09-19 19:23:10 +03:00 |
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Marek Nečada
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1cc1793f57
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Fix memory corruption, python package installability
Former-commit-id: d9d89ff20b67132e8d88d55b206a8856a395f1f2
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2018-05-15 14:37:05 +03:00 |
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Marek Nečada
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90cc4065d3
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Bessel transform mathematica results etc.
Former-commit-id: 3dca9d0ccbfefa4c5f3867ce4ba31229646ca2d9
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2018-01-15 15:14:15 +02:00 |
Marek Nečada
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3ab9221519
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Another fatal type
Former-commit-id: 6a4fbab576c3315feeb345ded0f6e4eb4c8e1c0d
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2017-05-18 16:57:16 +03:00 |
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Marek Nečada
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add6f1111b
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Fatal / forgotten imaginary unit
Former-commit-id: b68b6dbee3fcdc57a2a772d5beac82584725ed59
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2017-05-18 09:01:35 +03:00 |
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Marek Nečada
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43702a00c8
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Cosmetics
Former-commit-id: f7a02a39ae67af4fb835892be4ff8356f3e91c9d
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2017-05-17 13:34:54 +03:00 |
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Marek Nečada
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3479a30e9b
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Skript pro konečné čtvercové matice; segfaultuje.
Former-commit-id: ce5df9e399a561273d5d0f9cbfe004543d991958
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2017-05-16 16:14:25 +03:00 |
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Marek Nečada
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1fa2e70d93
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Fix vectorized implementation of ...getSVD
Former-commit-id: 09bdc607b096859d9679d39d5e08ea71669d3673
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2017-05-11 06:31:43 +03:00 |
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Marek Nečada
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4b614d8e0b
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Vectorization of python ...getSVD version
Former-commit-id: 47b491c768dd30c86055cbb36ab0f7748a8a5202
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2017-05-11 04:38:46 +03:00 |
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Marek Nečada
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36ed59dcf8
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Update setup script and plotting cosmetics
Former-commit-id: 4929c28524809d1e9ffb42f523e99ee4e43d4fb8
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2017-05-08 19:45:16 +03:00 |
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Marek Nečada
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205c1316f3
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Fix python header include etc
Former-commit-id: f14e9673df8781be76d86df81394aacee7f557db
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2017-05-03 08:43:29 +03:00 |
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Marek Nečada
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975e4c7162
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fix of fix of setup file
Former-commit-id: 8cbc9437afabd2ff2c71f1c87a39c57748abd941
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2017-05-03 08:32:06 +03:00 |
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Marek Nečada
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8815708e11
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Fix setup script
Former-commit-id: 4bdcd71e2aaea284eccc4d85bc128110d16c5220
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2017-05-03 08:30:05 +03:00 |
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Marek Nečada
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e2a2100b57
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lattices.py using now the c module
Former-commit-id: 52cecb23a8757726bcac796417ebade8242d687a
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2017-04-27 13:12:52 +03:00 |
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Marek Nečada
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c41c0d80ff
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The calculator module now works in python
Former-commit-id: 928dc98f6960bd53317a861c2787e197dcb87c88
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2017-04-26 14:12:29 +03:00 |
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Marek Nečada
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da193c1450
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something already works
Former-commit-id: 9b1cfe39ae1453d26db40ad36d649b820d091ee4
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2017-04-19 17:43:24 +03:00 |
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Marek Nečada
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042197f978
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[hexpoint] some fixes
Former-commit-id: 2741873a8507d756e95752e41bb1793e9a261219
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2017-02-09 07:08:20 +02:00 |
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Marek Nečada
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d76a036c33
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Final fix of hexpoints + some ipynb demo.
Former-commit-id: cf3c5256aef489e0ac813182593a23bce2d6c3d8
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2017-02-05 22:38:58 +02:00 |
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Marek Nečada
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b642991bb1
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lattices: Basic stuff fixed, measuring time
Former-commit-id: 7019be9053b601e266eeddafdd859f6339313df7
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2016-12-21 14:28:55 +02:00 |
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Marek Nečada
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c18e1209f4
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dudom
Former-commit-id: 77250aa7b2ea2931e3cf1e3f401919cd19ba829d
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2016-12-15 16:15:01 +02:00 |
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Marek Nečada
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c9631d217f
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Fixed decorators (not elegant but working)
Former-commit-id: 8f54570f4413fdbc7544a2b4fe3ea183290026e7
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2016-12-06 18:20:23 +02:00 |
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Marek Nečada
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2b64a50244
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[broken] Jit všude možně (rozbil jsem to)
Former-commit-id: c88f554cee3aed543c657a27982139b3ae1ad0ce
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2016-12-06 17:25:32 +02:00 |
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Marek Nečada
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47daced370
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Non-mandatory numba import and conditional @jit decorator.
Former-commit-id: 327ece069ac0aa7ccc3c2aedefc4255a935699e7
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2016-12-04 22:27:03 +02:00 |
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Marek Nečada
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40162ffb01
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Merge branch 'master' of ssh://necada.org/~/repo/qpms
Conflicts:
setup.py
Former-commit-id: 7637555c4b919fd18c2c23b1d4768e51c039067d
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2016-07-12 03:24:15 +03:00 |
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Marek Nečada
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67707f7572
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Spherical harmonics transformations
Former-commit-id: bbbae4cbdd9756dfffb2ab2c81c208ef580ca463
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2016-07-12 03:20:53 +03:00 |
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Marek Nečada
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b9cf392bd1
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Dependencies into setup file, installation instructions.
Former-commit-id: cbea5c3ef950530b2871b881b5017fb81e5cf254
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2016-07-01 11:20:47 +03:00 |