Commit Graph

940 Commits

Author SHA1 Message Date
Marek Nečada 16f0db21c5 [ewald] dudom
Former-commit-id: a41864b9b1371d7a12d563f03da8873d48655f18
2017-08-07 18:11:41 +03:00
Marek Nečada f3d27e74d8 [ewald]Formulating the decomposition problem.
Former-commit-id: 1bf687085f79f24adac02ef7ac2cb3a7f97c424e
2017-08-07 16:48:37 +03:00
Marek Nečada e708c353e9 dudopráce
Former-commit-id: 02b6635802e642e43dc546e506bbef7fd443bebf
2017-08-07 07:13:36 +00:00
Marek Nečada 995920e447 Continuing notes on Ewald summation
Former-commit-id: 794cba8fd3cc2bad71a134b380da47d9f0a4b6af
2017-08-05 12:09:43 +00:00
Marek Nečada 231ee844d1 Separate directory for notes
Former-commit-id: c262384aeb8ff266d7160082c233e0eab2fb902e
2017-08-05 06:53:58 +00:00
Marek Nečada 890dbc3e76 Continue writing on Ewald summation.
Former-commit-id: a01eb920f0e49ce30fd29b8694a614a4af9993b1
2017-08-03 13:09:54 +00:00
Marek Nečada dc633c6d9a nd generalisation of function for reciprocal basis
Former-commit-id: a213a1198a65956eeafe0e3249beafc822131497
2017-08-03 08:11:28 +00:00
Marek Nečada 0b09921bb5 Two conventions for reciprocalBasis
Former-commit-id: 698fca8df5631e704e4a33dd9871b780f542a130
2017-08-03 08:07:50 +00:00
Marek Nečada c638c47192 Start writing notes on dirac combs
Former-commit-id: f91e766e82dc8b84246a895bf95fc9d59afa996d
2017-08-02 16:46:51 +00:00
Marek Nečada 3fdd52abe9 Merge branch 'master' of ssh://necada.org/~/repo/qpms
Former-commit-id: 69c188162e56ed7519979548641d6fa6e2c9cb15
2017-07-25 17:12:53 +03:00
Marek Nečada 22b5cfdd49 dudom
Former-commit-id: 877c2c71178212397cdb72e18f54b9a884fb2951
2017-07-25 17:10:58 +03:00
Marek Nečada 0fe13cecc2 make TMatrix subclass of TMatrixSpec
Former-commit-id: 05ac6d2d707c1bc3815ee4bc58cdb56c3603c10f
2017-07-25 10:29:06 +03:00
Marek Nečada 39d4a8952e TMatrix is now subclass of TMatrixSpec
Former-commit-id: 05afa77c95034345e2ac8831937a7142a82f4c67
2017-07-23 18:29:06 +00:00
Marek Nečada 5ef938ac11 Pseudovectorisation of qpms_p.lpy()
Former-commit-id: f09d71c52ef73453ee1a49f327a5b52548ce978b
2017-07-20 17:30:24 +03:00
Marek Nečada 46c67a548e Pseudovectorised version of qpms_p.vswf_yr()
Former-commit-id: 00f32b599dc087369fa99eb1bf9207d9901897c2
2017-07-20 17:05:32 +03:00
Marek Nečada e0b1b3af55 Pseudovectorisation of plane_pq_y
Former-commit-id: 4af74647f63a2aa4c669244245dfc4b2cf7a3efd
2017-07-20 16:42:29 +03:00
Marek Nečada 2451da7b3e Additional test, exception output
Former-commit-id: f976b87dae8c38dcfdd810b187fd0089a8287667
2017-07-20 15:58:28 +03:00
Marek Nečada 83a2d56d41 Basis transform for lattices
Former-commit-id: 5746d8f6a70c21b0133259c1f936fda96b01cf96
2017-07-20 15:45:52 +03:00
Marek Nečada 6b4fade54b Description of a known asymmetry bug
Former-commit-id: 51d44df76e5294e860795320ede73f7953427ae6
2017-07-19 17:26:27 +03:00
Marek Nečada bb3e0630af introduce TMatrix class
Former-commit-id: 1c6dea1510a91a498f4abc8fa47dd6f95f397da3
2017-07-19 17:01:22 +03:00
Marek Nečada 710efdc533 Define python enums for normalization and Bessel function types.
Former-commit-id: 2dccf7654eec98ce598f82d2d31479dbab459f28
2017-07-19 16:59:33 +03:00
Marek Nečada 681d3817ff Define particle / T-matrix specifications as namedtuples.
Also get rid of separate T-matrix spec sequences.


Former-commit-id: 814df45116c56e638e13d370d5be11330adad722
2017-07-18 16:07:31 +03:00
Marek Nečada cff4a2cbf1 tmatrices.py: get TMatrix by CL argument specification
Former-commit-id: e28bd7f80f64a810a1f2a22534e3fc1a40341dc9
2017-07-12 14:18:37 +03:00
Marek Nečada 8bbd199d3a File renames
Former-commit-id: 73394f0460c576badc009d874ce8ec830be03ffd
2017-07-12 11:14:47 +03:00
Marek Nečada b64d7bf6b0 TODO labels description file
Former-commit-id: 3d88ab118b9f3fd27fa541e8c3b6c2cb9cb9c896
2017-07-12 07:51:37 +03:00
Marek Nečada 3b6304b348 Move t-matrix op related stuff qpms_p.py->tmatrices.py
Former-commit-id: 4179c6e8fa960ade08ccac85e035bdc6a9bd16c0
2017-07-12 07:21:49 +03:00
Marek Nečada cc4815b861 Fix module path
Former-commit-id: 6b8d455aae082bde323031b7eb57268701f18c77
2017-07-11 23:45:11 +00:00
Marek Nečada 13556b210d lattices2d.py: generování „kruhové“ mřížky
Former-commit-id: f3dd93f2bab05134546befa55b247aa1e8152c73
2017-07-12 02:36:46 +03:00
Marek Nečada d2b3851da5 lattices2d.py ready for (basic) use
Former-commit-id: f1fbc9a7e44be5a3b3c5c69a6aae35562741c440
2017-07-12 02:09:52 +03:00
Marek Nečada f925f2163d Progress on lattices2d.py; dudom
Former-commit-id: 0b9f718ce5cfff12f1d044dbf995f51092daf76b
2017-07-11 16:17:33 +03:00
Marek Nečada 97648ce214 Description of the modules, todos, remove unused imports.
Former-commit-id: 8fa256520b1fb3fbb69bc65040b0e541b8c38b97
2017-07-11 11:57:03 +03:00
Marek Nečada 4dbb8f09b0 Working on scripts_common
Former-commit-id: 830060579114debef9874748618e0dcf3f14882c
2017-07-11 10:48:52 +03:00
Marek Nečada e2f9923f31 Jdu do práce
Former-commit-id: 78742e79ad31d8aa44ac410401c6b5d6a394a188
2017-07-11 06:17:59 +00:00
Marek Nečada 5249978f45 Error messages
Former-commit-id: 7da5d92e9022ab90989333990b4ed4193540f70c
2017-07-08 10:39:49 +03:00
Marek Nečada 2ba5df5ce5 Particle-wise lMax override parsing
Former-commit-id: 2eda49e0f8fa0252c633c0e285ddad2de43b945b
2017-07-06 18:09:06 +03:00
Marek Nečada 7f61ab3c2d generaldisp.py preliminary argument parsing
Former-commit-id: d1e92f32a6ef6dbe7ba8b7cf90c53ad45b3cd42d
2017-07-06 17:49:21 +03:00
Marek Nečada 71d1c6f6b1 Starting script for general 2d lattice dispersion
Former-commit-id: 7e06a50924e1cdc834aaf519db59bad90380cd09
2017-06-28 15:49:38 +03:00
Marek Nečada 37122d0b28 Improve range2D + some application argument TODOs
Former-commit-id: 40d8895058b25b9de8a4b4a47e9a115deaa495e1
2017-06-27 15:51:08 +03:00
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