1e5418e7d0
Dirty fix of the otherwise non-literal arrays.
2022-06-22 12:33:48 +03:00
a66dd24f89
Cython evaluation of "normal" and Ewald-summed SSWF
2022-06-22 12:33:48 +03:00
94e218c459
ScatteringSystem, ... definitions to pxd file
2022-06-22 12:33:48 +03:00
3a8e5b99cb
SSWF evaluation functions for debugging Ewald sum.
2022-06-22 12:33:48 +03:00
6ccd785164
Additional phase factors in Ewald sum for debugging
2022-06-22 12:33:48 +03:00
e486e04e2f
WIP documentation on phase/normalisation implementation.
2022-06-22 12:33:48 +03:00
fd588b7c02
Ewald summation consistency test for lattice basis fields.
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In-plane test currently passes, out-of-plane does not.
2022-06-22 12:33:48 +03:00
2cef16834a
finiterect-constant-driving more metadata output
2022-06-22 12:33:48 +03:00
c0ee750f5d
Remove bugs of removed code from BUGS.rst.
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Some of the other bugs might have been already fixed
as well, this has to be reviewed, and also doxygenised.
2022-06-22 12:33:48 +03:00
8abe7e3357
Enable separation of long- and short-range of Ewald sum in python
2022-06-22 12:33:48 +03:00
5fdbb362a3
Fix prange race conditions.
2022-06-22 12:33:48 +03:00
478b010a15
"Basis fields" for finite systems.
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There seem to be race conditions in the prange'd cython parts.
2022-06-22 12:33:48 +03:00
9e350cdac6
"Basis fields" for finite systems
2022-06-22 12:33:48 +03:00
f9620e1d11
Fix saving lists of arrays with recent versions of numpy
2022-06-22 12:30:02 +03:00
5e4f9130fb
Disable "hard" examples in CI
2022-06-21 15:13:20 +03:00
03e5be17f9
Add bc to CI common prerequisities (required to run examples)
continuous-integration/drone/push Build was killed
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2022-06-21 09:54:24 +03:00
74ce35605b
Run some working examples in CI
continuous-integration/drone/push Build is failing
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2022-06-21 09:41:37 +03:00
2a85b16347
sympy fix deprecated cyclic printing init
continuous-integration/drone/push Build is passing
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2022-06-21 09:35:36 +03:00
ac0d322246
Initial qpms version metadata in library and output files
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continuous-integration/drone/push Build is passing
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Merge branch 'versioning'
2022-06-21 08:53:18 +03:00
a1472f3db6
Version metadata into output files
continuous-integration/drone/push Build is failing
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2022-06-21 08:50:12 +03:00
260b053102
Fix __version__, pdf annotate function
2022-06-21 08:49:23 +03:00
78992188fd
Initial version info in the C library
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continuous-integration/drone/push Build is failing
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Cmake modules taken from https://github.com/rpavlik/cmake-modules
see also https://stackoverflow.com/q/1435953
2022-06-21 06:25:22 +03:00
e7f7cd38d2
Trustworthier source for zbessel submodule
continuous-integration/drone/push Build is passing
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2022-06-16 07:41:32 +03:00
b525c66043
Initial CI workflow for Drone
continuous-integration/drone/push Build is passing
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2022-06-16 02:25:17 +03:00
e69b927ec3
List of public mirrors
2022-06-10 12:43:16 +03:00
2731a87ef7
Installation on Android.
2022-06-07 07:07:37 +03:00
3a34effe34
Don't import qpms_p in __init__, remove scipy from install dependencies
2022-06-07 06:10:24 +03:00
1aac5de903
Replace scipy.constants with own constants module.
2022-06-07 05:55:36 +03:00
87c2fd24fe
Use detected libraries in CMakeLists.txt instead of hardcoded ones.
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Should fix some issues while building/linking libqpms.so;
still needs to be somehow done in the Python part as well.
2022-06-06 12:07:25 +03:00
aea0afee15
Fix unitialised diagonal blocks in full modeproblem matrix.
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The bug in qpms_scatsysw_build_modeproblem_matrix_full()
via qpms_scatsysw_scatsyswk_build_modeproblem_matrix_full()
affected finite-size arrays: instead of filling the diagonal
interaction blocks with zeros, they were filled with undefined
values from a superfluous zgemm() call.
2021-12-21 11:36:58 +02:00
77a3566aba
Fix MaterialInterpolator memory issue
2021-10-27 23:51:54 +03:00
24a6ea01d7
Include vlen in the solver (yet another regression from 087cd1c)
2021-09-21 09:59:26 +03:00
50a5aa11a6
Add residual to solver (fix regression from 087cd1c)
2021-09-15 16:46:13 +03:00
572e15edbb
Merge branch 'python_tmg': T-matrix generators from python functions
2021-08-23 08:42:50 +03:00
b12fc991e5
Custom python T-matrix generator test.
2021-08-23 08:39:27 +03:00
a5b137847a
Custom python T-matrix generators
2021-08-22 09:01:16 +03:00
314cde1b99
BaseSpec "constructor" from C pointer.
2021-08-21 19:05:49 +03:00
80ee8b0d53
setup.py improvements
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- resolve numpy header location using numpy.get_include()
- a hack to install cython, numpy before calling setup()
(needed for cythonize() and get_include()) if necessary
- use named lists to reduce repetitions
- remove gslcblas from linker dependencies
- remove some old, commented out stuff
2021-08-08 08:02:06 +03:00
087cd1cab3
Merge branch 'beyn_pureblas'
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Getting rid of gsl_matrix and gsl_cblas dependencies in the
implementation of Beyn's algorithm. This avoids header clashes between
gsl_cblas.h and cblas.h.
2021-06-11 11:12:42 +03:00
9d556e7b23
Remove all gsl_matrix_... related code in Beyn.
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Now that pure BLAS implementation is working, this in no longer needed.
Getting rid of gsl_matrix and gsl_cblas eliminates header clashes between
GSL and other CBLAS implementations.
2021-06-11 11:11:17 +03:00
f19c590d6e
Pure BLAS Beyn: cleanup commented out GSL code
2021-06-11 11:11:17 +03:00
2be3521333
beyn pure BLAS: fix indices and strides
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Also fix amos reference in CMakeLists
2021-06-11 11:11:17 +03:00
64f77557a7
[WIP;BROKEN] Getting rid of gsl linear algebra in Beyn.
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Segfaults in LAPACKE_zgesdd.
Former-commit-id: 39ce2f70e214bfe2fba6f1ec2960139194dbc761
2021-06-11 11:11:17 +03:00
7e0d7639e8
Fix tests/CMakeLists amos reference
2021-06-09 13:28:18 +03:00
36c5d5236a
Fix CQuat.from_rotvector()
2021-02-08 08:47:40 +02:00
cf2aca7f03
Silent NAN (with warning) instead of crash for singular Bessel at zero
2020-11-17 10:57:16 +02:00
3479721455
Workaround for crashing spherical Bessel funcs at large distance.
...
This leads to loss of precision nevertheless, but it should
not be critical, especially if the main use is in far field patterns.
2020-09-02 12:15:26 +03:00
6189918348
finiterect-constants-driving always output the actual ccd_size
2020-09-02 09:30:23 +03:00
031397aacd
finiterectlat-modes.py fix filename pattern
2020-08-03 17:58:50 +03:00
1a4b279eff
Add D2h/D4h choice for square lattices in finiterectlat-modes.py
2020-08-03 14:50:33 +03:00
Marek Nečada
Marek Nečada
Kristian Arjas