Commit Graph

  • 9193084473 Fix missing import in finiterectlat-scatter.py cython3 Marek Nečada 2023-12-26 12:35:05 +0200
  • 33d144cf68 Fix missing import in finiterectlat-scatter.py master Marek Nečada 2023-12-26 12:35:05 +0200
  • 8201c6c1d8 Specify cython langauge_level Marek Nečada 2023-12-24 16:38:14 +0200
  • bd98ff994b Minimal amount of noexcept to make it compile with cython 3 Marek Nečada 2023-12-24 16:35:27 +0200
  • 24c3ff386c Fix obvious errors caught by compiler argproc_constant_tmatrix Marek Nečada 2022-10-22 17:28:40 +0300
  • 3a2fc6685c An ugly hack to convince newer version of numpy to save list of arrays Marek Nečada 2022-06-24 08:14:05 +0300
  • e5270b54fb finiterect-constant-driving: sort slice labels for deterministic output Marek Nečada 2022-06-24 02:52:39 +0300
  • ecac798529 Handle "empty" irreps in finiterectlat-scatter.py (not tested!) Marek Nečada 2022-06-24 01:13:44 +0300
  • bb15a2b035 Handle "empty" irreps in finiterectlat-constant-driving.py Marek Nečada 2022-06-23 18:35:33 +0300
  • 6b89feed70 Named constant for failed vswf index remap Marek Nečada 2022-06-23 19:42:55 +0300
  • 53764f3dd1 Fix qpms_vswf_set_reindex(). Marek Nečada 2022-06-23 09:12:11 +0300
  • 1659588196 Fix qpms_vswf_set_reindex(). Marek Nečada 2022-06-23 09:12:11 +0300
  • 0313d3b4ad vswf set specification support for "single particle type" scripts Marek Nečada 2022-06-23 09:07:10 +0300
  • cfd25c6218 Constant T-matrix example add symmetries Marek Nečada 2022-06-06 05:53:38 +0300
  • 8df02429d5 Initial example with manually specified constant T-matrix Marek Nečada 2022-06-06 05:40:03 +0300
  • 5086e42353 argproc don't convert --vswf-set arguments directly to BaseSpec Marek Nečada 2022-06-06 05:19:11 +0300
  • 74d72100d4 Fix typos in argproc.py, metavars to "labeled" parameters Marek Nečada 2022-06-03 08:34:02 +0300
  • ccfb13a15c argproc.py WIP constant t-matrix, mutual exclusivity checks Marek Nečada 2022-06-01 16:07:16 +0300
  • 68d894ec96 WIP argproc.py constant T-matrix Marek Nečada 2022-05-29 15:31:32 +0300
  • 8a2d4a2969 Forgotten source catch_aux.C ewald_dbg Marek Nečada 2022-05-29 14:25:42 +0300
  • d062ec4da9 Forgotten header lattice_types.h Marek Nečada 2022-05-29 14:36:32 +0300
  • cd1406d23f argproc.py: enable manual specification of BaseSpec Marek Nečada 2022-05-27 11:21:59 +0300
  • 4c0453a865 Nicer BaseSpec.__repr__() for BaseSpec(lMax=...) Marek Nečada 2022-05-25 19:16:22 +0300
  • f0d0e48876 BaseSpec.__repr__() Marek Nečada 2022-05-25 07:35:40 +0300
  • 6ddcc4cfcf BaseSpec constructor docs Marek Nečada 2022-05-25 06:09:31 +0300
  • cf4b9cb52b Comments, doxygen Marek Nečada 2022-04-24 22:28:23 +0300
  • ffb4bab365 Dummy (zero) T-matrix generator Marek Nečada 2022-04-04 09:43:02 +0300
  • 487bc25aaf VSWF fill test, fix memory issue Marek Nečada 2022-03-30 13:27:20 +0300
  • 87079dd09b Missing include Marek Nečada 2022-03-30 13:07:27 +0300
  • 5dba7acd40 Indexing.h C++ compatibility; flag C++ incompatible headers. Marek Nečada 2022-03-30 11:11:57 +0300
  • d43ca9026b Restructure headers to ensure ewald.h C++ compatibility Marek Nečada 2022-03-30 10:52:11 +0300
  • 31a1094d08 vectors.h explicit type conversions for C++ compatibility Marek Nečada 2022-03-30 09:59:04 +0300
  • 0aab207ab0 extern "C" in headers Marek Nečada 2022-03-30 09:47:06 +0300
  • 45dba25b3c Introduce testing witch catch2 (no runtime tests yet) Marek Nečada 2022-03-30 09:28:07 +0300
  • 5af1fd7734 Replace "complex" with "_Complex" in headers Marek Nečada 2022-03-30 09:06:47 +0300
  • d640176d62 Expressing VSWF in terms of SSWF Marek Nečada 2022-03-29 14:32:06 +0300
  • bac3c3276d Indexing documentation, pedantic use of qpms_y_sc_t Marek Nečada 2022-03-25 21:51:17 +0200
  • 7e318fc6cd Remove duplicit function declaration. Marek Nečada 2022-03-25 16:10:24 +0200
  • 9e9f70cf65 analysis: fix symmetry group info Marek Nečada 2022-01-03 23:51:13 +0200
  • 030a96d56f Analysis script also for finiterectlat constant driving results Marek Nečada 2022-01-03 20:58:01 +0200
  • 2c12d28c70 Expose more testing functions via cython api. Marek Nečada 2021-12-21 12:31:32 +0200
  • fed391b20c analysis.py: fix duplicities in position mapping due to rounding errors Marek Nečada 2021-12-09 14:53:57 +0200
  • 679ee72bee Helper class to analyse results of finiterectlat-modes.py Marek Nečada 2021-12-09 11:19:19 +0200
  • dc0d030ef0 WIP fixing some example scripts Marek Nečada 2021-01-11 06:14:36 +0200
  • 798d6e7943 Move old cython translation_calculator wrapper Marek Nečada 2020-12-02 17:18:51 +0200
  • 7599c22d06 Attempt to fix the Ewald sum SSWF phase bug Marek Nečada 2020-11-24 01:10:59 +0200
  • 788a990a29 Revert scatsystem cython parallelisation. Marek Nečada 2021-12-08 14:18:32 +0200
  • 1e5418e7d0 Dirty fix of the otherwise non-literal arrays. Marek Nečada 2020-11-26 11:09:15 +0200
  • a66dd24f89 Cython evaluation of "normal" and Ewald-summed SSWF Marek Nečada 2020-11-20 00:48:18 +0200
  • 94e218c459 ScatteringSystem, ... definitions to pxd file Marek Nečada 2020-11-19 04:37:57 +0200
  • 3a8e5b99cb SSWF evaluation functions for debugging Ewald sum. Marek Nečada 2020-11-18 21:50:30 +0200
  • 6ccd785164 Additional phase factors in Ewald sum for debugging Marek Nečada 2020-11-18 18:08:57 +0200
  • e486e04e2f WIP documentation on phase/normalisation implementation. Marek Nečada 2020-10-23 16:23:45 +0300
  • fd588b7c02 Ewald summation consistency test for lattice basis fields. Marek Nečada 2020-09-16 11:37:27 +0300
  • 2cef16834a finiterect-constant-driving more metadata output Marek Nečada 2020-08-17 17:36:57 +0300
  • c0ee750f5d Remove bugs of removed code from BUGS.rst. Marek Nečada 2020-08-03 14:12:25 +0300
  • 8abe7e3357 Enable separation of long- and short-range of Ewald sum in python Marek Nečada 2020-07-28 09:39:22 +0300
  • 5fdbb362a3 Fix prange race conditions. Marek Nečada 2020-07-26 13:11:41 +0300
  • 478b010a15 "Basis fields" for finite systems. Marek Nečada 2020-07-24 09:43:19 +0300
  • 9e350cdac6 "Basis fields" for finite systems Marek Nečada 2020-07-23 17:23:23 +0300
  • f9620e1d11 Fix saving lists of arrays with recent versions of numpy Marek Nečada 2022-06-20 08:49:37 +0300
  • 5e4f9130fb Disable "hard" examples in CI Marek Nečada 2022-06-21 15:13:20 +0300
  • 03e5be17f9 Add bc to CI common prerequisities (required to run examples) Marek Nečada 2022-06-21 09:54:24 +0300
  • 74ce35605b Run some working examples in CI Marek Nečada 2022-06-21 09:41:37 +0300
  • 2a85b16347 sympy fix deprecated cyclic printing init Marek Nečada 2022-06-21 09:22:47 +0300
  • ac0d322246 Initial qpms version metadata in library and output files Marek Nečada 2022-06-21 08:53:18 +0300
  • a1472f3db6 Version metadata into output files versioning Marek Nečada 2022-06-21 08:33:35 +0300
  • 260b053102 Fix __version__, pdf annotate function Marek Nečada 2022-06-21 07:48:20 +0300
  • 78992188fd Initial version info in the C library ci Marek Nečada 2022-06-21 05:45:59 +0300
  • e7f7cd38d2 Trustworthier source for zbessel submodule Marek Nečada 2022-06-16 07:41:32 +0300
  • b525c66043 Initial CI workflow for Drone Marek Nečada 2022-06-09 05:14:45 +0300
  • e69b927ec3 List of public mirrors Marek Nečada 2022-06-10 12:43:16 +0300
  • 2731a87ef7 Installation on Android. Marek Nečada 2022-06-06 13:22:23 +0300
  • 3a34effe34 Don't import qpms_p in __init__, remove scipy from install dependencies Marek Nečada 2022-06-07 06:07:08 +0300
  • 1aac5de903 Replace scipy.constants with own constants module. Marek Nečada 2022-06-07 05:53:48 +0300
  • 87c2fd24fe Use detected libraries in CMakeLists.txt instead of hardcoded ones. Marek Nečada 2022-06-06 12:07:25 +0300
  • 09e140a4bf Merge branch 'catch_test' into ewald_dbg_rebased2 archive/ewald_dbg_202206 Marek Nečada 2022-06-01 16:19:28 +0300
  • bfa99b2663 argproc.py: enable manual specification of BaseSpec ewald_dbg_rebased2 Marek Nečada 2022-05-27 11:21:59 +0300
  • 165dbe3d61 Forgotten source catch_aux.C catch_test Marek Nečada 2022-05-29 14:25:42 +0300
  • b756453d12 Forgotten header lattice_types.h Marek Nečada 2022-05-29 14:36:32 +0300
  • 92842d4e75 Nicer BaseSpec.__repr__() for BaseSpec(lMax=...) Marek Nečada 2022-05-25 19:16:22 +0300
  • b9d89fb346 BaseSpec.__repr__() Marek Nečada 2022-05-25 07:35:40 +0300
  • 4df51c3986 BaseSpec constructor docs Marek Nečada 2022-05-25 06:09:31 +0300
  • 0551004d4d Comments, doxygen Marek Nečada 2022-04-24 22:28:23 +0300
  • cae211e426 Merge branch 'catch_test' into ewald_dbg_rebased2 Marek Nečada 2022-04-24 22:26:44 +0300
  • 16a0a7dc0a Dummy (zero) T-matrix generator Marek Nečada 2022-04-04 09:43:02 +0300
  • 3052895ac6 VSWF fill test, fix memory issue Marek Nečada 2022-03-30 13:27:20 +0300
  • 9e788b9d2f Missing include Marek Nečada 2022-03-30 13:07:27 +0300
  • 923e1e0a77 Indexing.h C++ compatibility; flag C++ incompatible headers. Marek Nečada 2022-03-30 11:11:57 +0300
  • 856903a98b Restructure headers to ensure ewald.h C++ compatibility Marek Nečada 2022-03-30 10:52:11 +0300
  • 89f7400c71 vectors.h explicit type conversions for C++ compatibility Marek Nečada 2022-03-30 09:59:04 +0300
  • 6820eb3366 extern "C" in headers Marek Nečada 2022-03-30 09:47:06 +0300
  • e66f95aa4f Introduce testing witch catch2 (no runtime tests yet) Marek Nečada 2022-03-30 09:28:07 +0300
  • b04a4deebe Replace "complex" with "_Complex" in headers Marek Nečada 2022-03-30 09:06:47 +0300
  • 736adb6974 Expressing VSWF in terms of SSWF Marek Nečada 2022-03-29 14:32:06 +0300
  • 10d3beca1c Indexing documentation, pedantic use of qpms_y_sc_t Marek Nečada 2022-03-25 21:51:17 +0200
  • f9081c5922 Remove duplicit function declaration. Marek Nečada 2022-03-25 16:10:24 +0200
  • 54936ee722 analysis: fix symmetry group info Marek Nečada 2022-01-03 23:51:13 +0200
  • 63f7f216b0 Analysis script also for finiterectlat constant driving results Marek Nečada 2022-01-03 20:58:01 +0200
  • 0315481977 Expose more testing functions via cython api. Marek Nečada 2021-12-21 12:31:32 +0200