Commit Graph

752 Commits

Author SHA1 Message Date
Marek Nečada ccde3d76df Wigner-Seitz cell (untested)
Former-commit-id: fb16e8e607bcf6de8b4049147df649bcfdecd855
2017-06-27 14:50:18 +03:00
Marek Nečada 3eaa1e49fa Bravais lattice type recognition
Former-commit-id: b33c30f31ff08780a60ceb1fdcf011ee6e064e59
2017-06-27 00:22:18 +03:00
Marek Nečada 3ab9221519 Another fatal type
Former-commit-id: 6a4fbab576c3315feeb345ded0f6e4eb4c8e1c0d
2017-05-18 16:57:16 +03:00
Marek Nečada fa1802a7bd Some data sanity checks
Former-commit-id: 7a7b0433aae0f754098e4d5a014b8c1311377317
2017-05-18 16:06:47 +03:00
Marek Nečada add6f1111b Fatal / forgotten imaginary unit
Former-commit-id: b68b6dbee3fcdc57a2a772d5beac82584725ed59
2017-05-18 09:01:35 +03:00
Marek Nečada 63e6a85e15 Important typo
Former-commit-id: 937300a0cf8b03da66e626c75489e36df327f0c1
2017-05-18 08:41:18 +03:00
Marek Nečada a05d61adcb typo
Former-commit-id: 9999dc440c5af70fba7bc9c98a37aad45f89cfe9
2017-05-17 18:54:55 +03:00
Marek Nečada a5163c7e8d More cosmetics
Former-commit-id: 2ffd8031569cf35cb913dd30fa0046884df611f0
2017-05-17 13:44:57 +03:00
Marek Nečada 43702a00c8 Cosmetics
Former-commit-id: f7a02a39ae67af4fb835892be4ff8356f3e91c9d
2017-05-17 13:34:54 +03:00
Marek Nečada 3407b5e47f finitesqlatzsym-scatter.py vital fixes
Former-commit-id: ae20bd6800803afe386af7230a099c5632a3bf24
2017-05-17 11:33:25 +03:00
Marek Nečada c16e0df2f2 Check lMax > 0; more robust coordinate handling in lattices.py
Former-commit-id: 9e5ac45158d5c7241427a6148db2d1842dd74cc6
2017-05-17 11:32:17 +03:00
Marek Nečada 3479a30e9b Skript pro konečné čtvercové matice; segfaultuje.
Former-commit-id: ce5df9e399a561273d5d0f9cbfe004543d991958
2017-05-16 16:14:25 +03:00
Marek Nečada 8135121a3e lattices.py: freeing memory; Cosmetic changes
Former-commit-id: 2d7e68b0f11d89406807d23e5b18c64900cbf01c
2017-05-16 15:01:20 +03:00
Marek Nečada ac0a4435b6 (not very good – super slow) bitmap plotting
Former-commit-id: 468d2574ac81e6928bed7cf4e9b92265e8b7ae70
2017-05-16 05:25:27 +03:00
Marek Nečada 22771ef507 Basic plotting of the dispersion_chunks.py generated data
Former-commit-id: 852034a558b1a8b09937d60687bb9c1a3e994946
2017-05-11 12:10:29 +03:00
Marek Nečada 1fa2e70d93 Fix vectorized implementation of ...getSVD
Former-commit-id: 09bdc607b096859d9679d39d5e08ea71669d3673
2017-05-11 06:31:43 +03:00
Marek Nečada 12bbb53155 fix of fix
Former-commit-id: ac535492f048c29382633fbdbe6ee9c3f62a6b73
2017-05-11 04:51:01 +03:00
Marek Nečada c80551974b small fix
Former-commit-id: 6c87c578e9a443dfd054d44e003402e27067d34e
2017-05-11 04:48:02 +03:00
Marek Nečada 4b614d8e0b Vectorization of python ...getSVD version
Former-commit-id: 47b491c768dd30c86055cbb36ab0f7748a8a5202
2017-05-11 04:38:46 +03:00
Marek Nečada a662c885d5 Fix verbose messages
Former-commit-id: 4c8d6e95e55854925fe3b7c4fd35e9875d7a49ac
2017-05-10 15:40:43 +03:00
Marek Nečada 7a4887101a Fix missing index arrays
Former-commit-id: 17499c3583715bf5365771c60c66ba58f175a67a
2017-05-10 13:44:36 +03:00
Marek Nečada faa01fcceb Fix module import
Former-commit-id: 0c7cc0f371d585cea4df5d6e73334b918a0b2581
2017-05-10 13:22:52 +03:00
Marek Nečada 57ea4b5207 Verbosity level parser tweak
Former-commit-id: 0932cb0caf4517891f40c38cbd7c2cb3c0cb144f
2017-05-10 13:17:40 +03:00
Marek Nečada 72840f929a verbosity argument for dispersion_chunks.py, cleanup
Former-commit-id: b95ed728b5aac6114d76ab3a3c563fa19e9016e6
2017-05-10 11:48:55 +03:00
Marek Nečada d2653e6a6d New symz_indexarray function, fix hexlatice_zsym_getSVD
Former-commit-id: 2d42d93b8c7d2e7596127293c622197794fe7f20
2017-05-10 11:45:21 +03:00
Marek Nečada 3a1f7c95aa Move time tracking functions to separate file.
Former-commit-id: ccecc95fd70f36208fa01b3b4d2c7bdd1546ff92
2017-05-10 11:43:11 +03:00
Marek Nečada da45e0fdb4 epsilon_b to saved metadata
Former-commit-id: 12c7070df289ebe1f37300d299e56e399245c95a
2017-05-09 18:40:32 +03:00
Marek Nečada d5c086fb20 Dispersion by chunks
Former-commit-id: b1ba5ec89c79e20a36f1af272394b964d136177b
2017-05-09 16:46:11 +03:00
Marek Nečada 535fb3c3d7 Some cython code cleanup
Former-commit-id: 187ae611bcd6112caf7b0a0b37223f0bc1836392
2017-05-08 22:17:19 +03:00
Marek Nečada 92b33d7993 Opravy
Former-commit-id: 9f8e7ed97e3701ca1b6dc3cbe36dc35ce45fff4a
2017-05-08 22:04:27 +03:00
Marek Nečada c1db33fcf6 hex lattice mode svd to separate function
Former-commit-id: dddd45e135bce176863e70a2256b9906575b9aa8
2017-05-08 21:38:18 +03:00
Marek Nečada f41caf6203 Fix of the previous
Former-commit-id: 74a68bb17f61a875c9f8c852820ac1252a5095cc
2017-05-08 20:20:57 +03:00
Marek Nečada d269624b68 Start legacy code cleanup
Former-commit-id: 6dd209d837466d33e1749114da672a2a08e09f0c
2017-05-08 20:13:34 +03:00
Marek Nečada 36ed59dcf8 Update setup script and plotting cosmetics
Former-commit-id: 4929c28524809d1e9ffb42f523e99ee4e43d4fb8
2017-05-08 19:45:16 +03:00
Marek Nečada 0103201fb4 Fix missing translation coefficients that probably caused mysterious asymmetry.
Former-commit-id: c2edcd35a3d7792013fa376306e21d76ee8beddb
2017-05-08 19:27:08 +03:00
Marek Nečada f05a010a14 2D dispersion calculations with the fixed frequency.
Former-commit-id: 9a3298c0fa8124c6171a1b9df78d39c3c5adc270
2017-05-04 06:14:18 +03:00
Marek Nečada 02e34d525b Function for directly getting hexlattice a,b coeffs without saving.
Former-commit-id: 0dc9768a7754d407dc733df57eff549ed4ccc53f
2017-05-04 04:18:38 +03:00
Marek Nečada 205c1316f3 Fix python header include etc
Former-commit-id: f14e9673df8781be76d86df81394aacee7f557db
2017-05-03 08:43:29 +03:00
Marek Nečada 975e4c7162 fix of fix of setup file
Former-commit-id: 8cbc9437afabd2ff2c71f1c87a39c57748abd941
2017-05-03 08:32:06 +03:00
Marek Nečada 8815708e11 Fix setup script
Former-commit-id: 4bdcd71e2aaea284eccc4d85bc128110d16c5220
2017-05-03 08:30:05 +03:00
Marek Nečada 0643ff4b3e Faster versions of hexpoint calculations (work in progress)
Former-commit-id: 44a7ed6419a966e2d71c258953d1d01dc0ed87ab
2017-05-03 08:23:27 +03:00
Marek Nečada 2149a9ca71 Axes bugfix
Former-commit-id: 8c58c30104d142779e698646a46ca950520307c0
2017-05-03 08:08:58 +03:00
Marek Nečada b6b701bd42 fix the C version
Former-commit-id: 470dfcd9336bed06916463770a8a144d67e0fd95
2017-05-03 06:02:01 +03:00
Marek Nečada 019304dcb4 Rewrite to C (still crashes)
Former-commit-id: 06dd608b73678c9974d144b6467c94c5d0a9f45b
2017-05-03 05:45:14 +03:00
Marek Nečada c599ee839e Few modifications, did not help...
Former-commit-id: 47121008c9846d8539d85b367763d950e037a1c9
2017-05-03 05:19:33 +03:00
Marek Nečada 40809ce90a The array version of the AB coeff calculation still has bugs.
rewriting to C


Former-commit-id: c6582a03a8b73b46156416eb0faa3f866e2638ce
2017-05-03 02:22:14 +03:00
Marek Nečada 2d88a1ef0d Whole translation matrix: it compiles; untested
Former-commit-id: 1465a1385a2f318148d7b3a21cbbf2c0391a13df
2017-05-02 00:18:01 +03:00
Marek Nečada e2a2100b57 lattices.py using now the c module
Former-commit-id: 52cecb23a8757726bcac796417ebade8242d687a
2017-04-27 13:12:52 +03:00
Marek Nečada 796c7d7289 qpms.trans_calculator.get_AB working
(translations.c needs cleanup, remove duplicate code)


Former-commit-id: e99463b00456030384bf85fd3f782f47d2a44f5b
2017-04-26 14:44:16 +03:00
Marek Nečada c41c0d80ff The calculator module now works in python
Former-commit-id: 928dc98f6960bd53317a861c2787e197dcb87c88
2017-04-26 14:12:29 +03:00