Commit Graph

15799 Commits

Author SHA1 Message Date
Martin Diehl cfe01b83f8 avoid deadlock for MPI runs 2022-02-17 21:37:37 +00:00
Philip Eisenlohr 41389963a7 Merge branch 'python-polishing' into 'development'
python polishing

See merge request damask/DAMASK!528
2022-02-17 20:23:54 +00:00
Test User bdc269a185 [skip ci] updated version information after successful test of v3.0.0-alpha5-718-gb92ad3e31 2022-02-17 19:03:32 +01:00
Philip Eisenlohr 91cb0f37c8 favor numpy intrinsic over list-comprehension 2022-02-17 12:16:53 -05:00
Philip Eisenlohr 826611411f "list_data" now returns list not str; deemph creator 2022-02-17 12:05:13 -05:00
Franz Roters b92ad3e31b Merge branch 'dislotwin-fix-TWIP-TRIP' into 'development'
dislotwin following paper

See merge request damask/DAMASK!527
2022-02-17 14:08:58 +00:00
Martin Diehl eca57d3b5f Merge remote-tracking branch 'origin/development' into dislotwin-fix-TWIP-TRIP 2022-02-17 08:17:39 +01:00
Martin Diehl 9972a22043 precision is ok, but numpy.sum takes sum over all dimensions per default 2022-02-17 07:58:56 +01:00
Martin Diehl 9a5eb45212 helpful information when comparing files 2022-02-17 07:16:55 +01:00
Martin Diehl 89a914bbe7 correct reporting of units 2022-02-17 07:13:39 +01:00
Martin Diehl ed50cd022b shorter, potential for higher precision
np.sum has an better alogrithm but fails ...
2022-02-16 23:40:02 +01:00
Martin Diehl 9fc6469b13 Merge remote-tracking branch 'origin/development' into python-polishing 2022-02-16 23:13:46 +01:00
Test User 138b0e03f2 [skip ci] updated version information after successful test of v3.0.0-alpha5-696-g6fce27dee 2022-02-16 19:11:10 +01:00
Franz Roters 6fce27deeb Merge branch 'homogenization-respect-fraction' into 'development'
bugfix: change of behavior

See merge request damask/DAMASK!525
2022-02-16 14:30:35 +00:00
Test User 0f579e44ab [skip ci] updated version information after successful test of v3.0.0-alpha5-691-gfe0ff7cab 2022-02-16 07:51:02 +01:00
Martin Diehl fe0ff7cab2 Merge branch 'typehints_orientation_rotation' into 'development'
04 First typehints for rotation and orientation modules

See merge request damask/DAMASK!479
2022-02-16 03:35:45 +00:00
Philip Eisenlohr 4426172c14 Merge branch 'development' into python-vtk-improvements 2022-02-15 18:07:18 -05:00
Philip Eisenlohr c5f2865121 make apparent that vtk.get automatically "squeezes" 2022-02-15 18:04:21 -05:00
Philip Eisenlohr 96133c68e9 Corrected documentation for Table.set/add/sort_by 2022-02-15 22:53:08 +00:00
Philip Eisenlohr a8898163ce polishing of error message styles 2022-02-15 16:48:24 -05:00
Philip Eisenlohr e2d1ffe7b8 condensed add_table test 2022-02-15 16:42:17 -05:00
Philip Eisenlohr 6916160ed1 implemented VTK.add(damask.Table) 2022-02-15 16:38:02 -05:00
Martin Diehl 35caed305f consistently define allclose for own type only 2022-02-15 22:08:12 +01:00
Test User 00f44c9ed6 [skip ci] updated version information after successful test of v3.0.0-alpha5-651-gd4f711416 2022-02-15 17:06:48 +01:00
Franz Roters d4f7114164 Merge branch 'improved-table-slicing' into 'development'
Extended slicing functionality of Table

See merge request damask/DAMASK!522
2022-02-15 12:48:39 +00:00
Navyanth Kusampudi b0bbb1c286 Merge branch 'spectral-polish' into 'development'
Spectral polish

See merge request damask/DAMASK!524
2022-02-15 12:32:09 +00:00
Test User bdeb3e042e [skip ci] updated version information after successful test of v3.0.0-alpha5-642-ge38786515 2022-02-15 01:20:38 +01:00
Martin Diehl e387865153 Merge branch 'cm.from_table-with-constant' into 'development'
allow constant (non-label) value in cm.from_table() keys

See merge request damask/DAMASK!523
2022-02-14 20:59:57 +00:00
Philip Eisenlohr 18f9ac7d44 outsource tail-repacking of characters into string (util.tail_repack) 2022-02-14 12:11:01 -05:00
Martin Diehl 7d015fbdc5 avoid confusion with existing table entry 2022-02-14 14:32:02 +00:00
Philip Eisenlohr 2ce464c48e vtk.comments as directly accessed property 2022-02-14 09:24:12 -05:00
Martin Diehl c66e2336c2 some versions of ifort have problems with 'do concurrent' 2022-02-14 15:08:35 +01:00
Test User 1d5abc206a [skip ci] updated version information after successful test of v3.0.0-alpha5-638-g1ecbeb692 2022-02-14 11:23:42 +01:00
Martin Diehl ebcf0fa625 Merge remote-tracking branch 'origin/development' into homogenization-respect-fraction 2022-02-14 09:19:49 +01:00
Martin Diehl 466682e978 missing rename grid -> cells 2022-02-14 08:32:48 +01:00
Martin Diehl 61e11a0529 use openMP for operations in Fourier space 2022-02-14 08:30:24 +01:00
Philip Eisenlohr 1ecbeb6924 Merge branch 'more-material-examples' into 'development'
added and curated example material.yaml files

See merge request damask/DAMASK!521
2022-02-14 05:06:54 +00:00
Martin Diehl 0008ad1bf8 easier to understand 2022-02-14 05:57:48 +01:00
Philip Eisenlohr 1b08f90d6c allow constant (non-label) value in cm.from_table() keys 2022-02-13 23:54:16 -05:00
Martin Diehl ac4beea14b use precalculated dyad 2022-02-14 05:47:50 +01:00
Philip Eisenlohr 0300912b30 Table.__eq__ for proper comparison; logical masks for slicing now work 2022-02-13 22:00:48 -05:00
Test User e210a9873d [skip ci] updated version information after successful test of v3.0.0-alpha5-624-g26979da58 2022-02-14 02:21:46 +01:00
Martin Diehl bba105c2a8 re-fit, documented details 2022-02-13 18:37:34 +01:00
Sharan Roongta 26979da585 Merge branch 'nonlocal-standard-access' into 'development'
Using consistent access pattern

See merge request damask/DAMASK!520
2022-02-13 17:33:35 +00:00
Martin Diehl e3a64ae4ff don't fit close to 0K
cryogenic temperatures are normally not of interest, avoid considering
the strongly curved region below 80K in the fit gives probably better
extrapolation properties for T>300K
2022-02-13 14:57:01 +01:00
Martin Diehl ba16ea21a0 avoid overfitting
there are only 3 data points for C_13, with one close to 0K. Leave this
point out and fit only a 1st order polynomial
2022-02-13 14:48:15 +01:00
Martin Diehl bb6a62c475 more temperature dependent data 2022-02-13 13:49:19 +01:00
Martin Diehl b1922c9fc0 return most specific type 2022-02-13 11:03:53 +01:00
Martin Diehl 2907facfd3 polishing
classes should return 'MyType' for inheritance without hassle
2022-02-13 02:47:08 +01:00
Martin Diehl bdc951c39b Merge remote-tracking branch 'origin/development' into typehints_orientation_rotation 2022-02-12 22:39:28 +01:00