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9193084473
Fix missing import in finiterectlat-scatter.py
cython3
Marek Nečada
2023-12-26 12:35:05 +0200
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33d144cf68
Fix missing import in finiterectlat-scatter.py
master
Marek Nečada
2023-12-26 12:35:05 +0200
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8201c6c1d8
Specify cython langauge_level
Marek Nečada
2023-12-24 16:38:14 +0200
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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
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3a2fc6685c
An ugly hack to convince newer version of numpy to save list of arrays
Marek Nečada
2022-06-24 08:14:05 +0300
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e5270b54fb
finiterect-constant-driving: sort slice labels for deterministic output
Marek Nečada
2022-06-24 02:52:39 +0300
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ecac798529
Handle "empty" irreps in finiterectlat-scatter.py (not tested!)
Marek Nečada
2022-06-24 01:13:44 +0300
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bb15a2b035
Handle "empty" irreps in finiterectlat-constant-driving.py
Marek Nečada
2022-06-23 18:35:33 +0300
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6b89feed70
Named constant for failed vswf index remap
Marek Nečada
2022-06-23 19:42:55 +0300
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53764f3dd1
Fix qpms_vswf_set_reindex().
Marek Nečada
2022-06-23 09:12:11 +0300
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1659588196
Fix qpms_vswf_set_reindex().
Marek Nečada
2022-06-23 09:12:11 +0300
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0313d3b4ad
vswf set specification support for "single particle type" scripts
Marek Nečada
2022-06-23 09:07:10 +0300
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cfd25c6218
Constant T-matrix example add symmetries
Marek Nečada
2022-06-06 05:53:38 +0300
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8df02429d5
Initial example with manually specified constant T-matrix
Marek Nečada
2022-06-06 05:40:03 +0300
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5086e42353
argproc don't convert --vswf-set arguments directly to BaseSpec
Marek Nečada
2022-06-06 05:19:11 +0300
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74d72100d4
Fix typos in argproc.py, metavars to "labeled" parameters
Marek Nečada
2022-06-03 08:34:02 +0300
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ccfb13a15c
argproc.py WIP constant t-matrix, mutual exclusivity checks
Marek Nečada
2022-06-01 16:07:16 +0300
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68d894ec96
WIP argproc.py constant T-matrix
Marek Nečada
2022-05-29 15:31:32 +0300
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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
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cd1406d23f
argproc.py: enable manual specification of BaseSpec
Marek Nečada
2022-05-27 11:21:59 +0300
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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
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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
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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
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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
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fd588b7c02
Ewald summation consistency test for lattice basis fields.
Marek Nečada
2020-09-16 11:37:27 +0300
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2cef16834a
finiterect-constant-driving more metadata output
Marek Nečada
2020-08-17 17:36:57 +0300
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c0ee750f5d
Remove bugs of removed code from BUGS.rst.
Marek Nečada
2020-08-03 14:12:25 +0300
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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
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478b010a15
"Basis fields" for finite systems.
Marek Nečada
2020-07-24 09:43:19 +0300
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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
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03e5be17f9
Add bc to CI common prerequisities (required to run examples)
Marek Nečada
2022-06-21 09:54:24 +0300
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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
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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
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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