Marek Nečada
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c2bdb09f7d
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Translation coefficients with uvswfi
Former-commit-id: fa02700e9b2dd10a85e1d15c533448f63efb9b93
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2019-03-09 07:39:11 +00:00 |
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Marek Nečada
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fb706b07ae
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Convenience function to create the 'usual' bspecs.
Former-commit-id: ce4e1cbab81ef251ad44cb58d765b6b19a0179aa
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2019-03-09 00:36:22 +00:00 |
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Marek Nečada
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4dfb358de6
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Matrix symmetry-adapted base packing/unpacking fixed.
Former-commit-id: 4993a41082c5f14e6b8cc3adb41ceab902c16820
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2019-03-09 00:15:48 +00:00 |
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Marek Nečada
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5f3759bdb3
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ss matrix projections and unpacking (Broken)
Former-commit-id: 58ed4c05f8b042feb896d5dd49f5d3a5616e979f
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2019-03-08 13:39:37 +00:00 |
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Marek Nečada
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fd13756b86
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ss vector packing and unpacking fixed and cython-wrapped.
Former-commit-id: ab1002b4c7b6fa4b7c14520d689cd7cd030b84e0
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2019-03-08 11:10:33 +00:00 |
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Marek Nečada
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50581dcf7e
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Matrix symmetry adapted base packing and unpacking (untested).
Former-commit-id: 77724b4fc6763e1591318f42a95ef2e7fbfcbcb9
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2019-03-08 08:53:59 +00:00 |
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Marek Nečada
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52b69fb00b
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Scatsystem matrix packing unfinished
Former-commit-id: 9f9806529550b3e109d284395ce53c61df648d7e
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2019-03-07 13:08:11 +02:00 |
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Marek Nečada
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519e60a501
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Scatsystem: excitation coefficient vector irrep packing and unpacking.
Former-commit-id: 5a4b983f43a0e429a8d92eff435d763358a3ad99
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2019-03-07 12:17:06 +02:00 |
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Marek Nečada
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0053eeb953
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Numbering the orbits of the same type.
Former-commit-id: 2911e40cbf8fce5f7fe6fe5c26fccdfb1fad5357
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2019-03-07 07:42:49 +00:00 |
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Marek Nečada
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a4b0022305
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scatsystem.h new prototype drafts and misc.
Former-commit-id: 954f4f82f5fc3932425b696b05dcab88a5566479
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2019-03-07 07:10:43 +00:00 |
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Marek Nečada
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0fb36f1e4c
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Group generation made deterministic.
Former-commit-id: ee2f92e71427c11348e8fad8c8cee2dfa16fd3d8
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2019-03-07 05:09:44 +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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d07d37c5af
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Symmetrisation of the interpolated T-matrix
Former-commit-id: 1a136d1ea8e39aeee418daba0c944410fb7d786f
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2019-03-06 21:58:50 +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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48758c42d6
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cython wrapper for C T-matrix interpolator.
Former-commit-id: 3c2c27b504d354513c0dd10b767f265fa6bd19c1
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2019-03-06 20:15:27 +00:00 |
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Marek Nečada
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a339af5c09
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Roundoff error cleaning for zeros.
Former-commit-id: 1efdd13b64022a93ae396bbc92345917de014ed8
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2019-03-06 17:50:11 +00:00 |
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Marek Nečada
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d2f124ab12
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Symmetrisation of tmdata.
Former-commit-id: 504457d0259578a8eaa8db720c0f1995c5bbc6cc
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2019-03-06 17:32:46 +00:00 |
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Marek Nečada
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d5652b126e
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Provisional error messages at tmatrix_io.c
Former-commit-id: c5a7c4f904f3f6f63b6bc76c7d498f3990838ac1
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2019-03-06 05:53:58 +00:00 |
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Marek Nečada
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c86376d435
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Provisional error messages with abort().
Former-commit-id: eba2bd11556cb9f39fb344f9867102f29229455d
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2019-03-06 05:46:41 +00:00 |
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Marek Nečada
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12e0188c6d
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C function to read scuff t-matrices.
Former-commit-id: 26a01ac3f9aaf5a7dce2b0cb2a722a713af2f63c
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2019-03-05 16:13:06 +00:00 |
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Marek Nečada
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efba713d2c
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Per-orbit irrep projectors.
Former-commit-id: 7d66eb721b7f75a99c29a054f0fd60520eb28722
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2019-03-03 23:35:06 +00:00 |
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Marek Nečada
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fb29736936
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Per-orbit Wigner matrix representation of a group action.
Former-commit-id: 25eaffa683bae1056a07c8e5667365f461388b5e
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2019-03-03 23:00:20 +00:00 |
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Marek Nečada
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b55c0bd8fa
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Extend the role of qpms_ss_orbit_type_t::action.
Former-commit-id: 8be18f9d502689673aaf4e44806c93fc462e2014
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2019-03-03 22:38:00 +00:00 |
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Marek Nečada
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a71fa23a75
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ScatteringSystem: show particles
Former-commit-id: 3a8397dd3dc1f459df3edd79a8c79d0ed2c4d90b
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2019-03-03 01:39:10 +00:00 |
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Marek Nečada
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97843e2a3a
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ScatteringSystem constructor and destructor now run without crashing.
Former-commit-id: ada6d5862be9226a467a7dafe2b9f197d3b67f69
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2019-03-03 01:22:13 +00:00 |
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Marek Nečada
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f785c7de29
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Avoid NULL dereference in free()
Former-commit-id: d257e5a0bfde5c4f6a6d7380eace24feba518b06
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2019-03-03 00:43:40 +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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59cf2e0778
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Basic Python wrapper of qpms_scatsystem_t
Former-commit-id: e12b21cd5219f7a995c228de8758ef58498ac987
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2019-03-03 00:05:24 +00:00 |
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Marek Nečada
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94b6412a21
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Fix group C source generation; hard-coded trivial group.
Former-commit-id: b4f34619766c728978db7104be02f1663f809506
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2019-03-02 21:51:49 +00:00 |
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Marek Nečada
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408d7b661f
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Merge branch 'master' of necada:~/repo/qpms
Former-commit-id: 297c1a42fd24abaa44afba2b811bb70c3f7c9199
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2019-03-02 20:19:34 +00:00 |
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Marek Nečada
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786a4f9906
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FinitePointGroup constructor fixes
Former-commit-id: f5f28af66e333b7378fbd5580dc07a165b43ced5
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2019-03-02 20:18:38 +00:00 |
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Marek Nečada
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8b8bb2b9ba
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FinitePointGroup constructor fixes
Former-commit-id: c731459d117d7bcfbdaa70bfc66c17fb75b5d933
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2019-03-02 20:16:14 +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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0142760061
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Fix FinitePointGroup constructor
Former-commit-id: 708bf7b842fed97609f7b365e1889e4c243e0da8
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2019-03-02 21:43:11 +02:00 |
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Marek Nečada
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fdaeabf90b
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Cython wrapper over qpms_finite_group_t.
Former-commit-id: 259520e6cb0681d0bd9fd5863be3bb4b6b7237a9
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2019-03-02 19:34:46 +00:00 |
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Marek Nečada
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f976a80894
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symmetries.py: Forgotten class renames from qpms_c.pyx
Former-commit-id: c5d64780f618ce0119597da5fb00182727e70732
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2019-03-02 18:22:29 +00:00 |
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Marek Nečada
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776f07eb06
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Remove an accidentally pasted line.
Former-commit-id: 001a4b236d7f406e8a0f8c889e285d5d767e5417
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2019-03-02 15:54:48 +00:00 |
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Marek Nečada
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e8c2250e60
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Writing down some plans on abstract t-matrices / particles.
Former-commit-id: 83722142c0b53f995c61f53a3c58320491b27843
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2019-03-02 05:29:50 +00:00 |
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Marek Nečada
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ebba5a0ed6
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Implement basic qpms_particle_t cython wrapper.
Former-commit-id: f91110e6195a2bd2bed27c615673003d95cc764e
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2019-03-01 17:39:42 +02:00 |
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Marek Nečada
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a5924cf548
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Transparent indexing for TCMatrix
Former-commit-id: 8fa13d88fa4fba4a8114fb3ffe7be1189d5d4453
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2019-03-01 17:01:47 +02:00 |
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Marek Nečada
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b148f4a527
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Rename (at least for now) cdef class TMatrix to CTMatrix to avoid
conflicts.
Former-commit-id: 6c7b7f6023838543a265b7189a1a805d73d7bf36
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2019-03-01 16:40:35 +02:00 |
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Marek Nečada
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290a6be670
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Making some important enums available in python as python enums.
Former-commit-id: 1257739451040f557e896a06747af8e383b797ff
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2019-03-01 14:55:59 +02:00 |
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Marek Nečada
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833e82ab5b
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Fixes to cython wrappers
Former-commit-id: 4598958f0c4bdc3262f71ce3e85467f5b07eee96
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2019-03-01 14:44:00 +02:00 |
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Marek Nečada
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862cacf4b2
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Declarations "of intention" in scatsystem.h
Former-commit-id: 9972988f811e6f1d17d1f9cda2d799a89d631ddd
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2019-03-01 12:36:11 +02:00 |
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Marek Nečada
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db7d4314ae
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ss constructor: otspace realloc
Former-commit-id: 0c534b05f4bb85ec7226251e3e350d69744ec359
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2019-03-01 05:35:26 +00:00 |
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Marek Nečada
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a8488cf18a
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Working on the wrappers.
Former-commit-id: b957673da9dfcff41c76212de92ee788d7ab844a
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2019-02-28 15:51:06 +02:00 |
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Marek Nečada
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97ec91da03
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Class dummies for wrapping the scatsys code
Former-commit-id: d88e0f576823a606f709e1f91ba39dfbe98ff5ba
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2019-02-28 13:38:00 +02:00 |
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Marek Nečada
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491b795845
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Class names to CapWords.
Former-commit-id: f61fd0ddf80f5ab38b13935142a7365244497182
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2019-02-28 12:21:29 +02:00 |
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Marek Nečada
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ff79fb950a
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qpms_scatsystem_t constructor done, untested.
Former-commit-id: c4ac2f33b354d435b985d43762716e7149dc57e8
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2019-02-28 12:09:13 +02:00 |
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Marek Nečada
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ed47640baf
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ss: Allocate memory for the orbit information. Orbit building not done yet.
Former-commit-id: b8b0435bc90f456077e82e5f954644455a3dcc42
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2019-02-28 07:31:27 +00:00 |