Commit Graph

15207 Commits

Author SHA1 Message Date
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
Martin Diehl 99c2f58553 ensure that data is read 2022-02-12 22:38:58 +01:00
Martin Diehl 2c05395b88 including test for new data 2022-02-12 22:30:46 +01:00
Martin Diehl 663b84641e needed for a complete set for Sn-beta 2022-02-12 22:29:56 +01:00
Martin Diehl 80f5496ef2 adjustments and improved documentation 2022-02-12 22:20:51 +01:00
Martin Diehl 4d808335de polishing 2022-02-12 18:55:01 +01:00
Martin Diehl cdabdb9882 temperature-dependent thermal conductivity 2022-02-12 16:11:09 +01:00
Martin Diehl 3bdfc29fb2 Parameter set for beta-Sn 2022-02-12 15:42:39 +01:00
Martin Diehl eb0fca9222 generic examples
might help some users to make the connection between old an new names,
good to have examples anyways
2022-02-12 09:08:38 +01:00
Philip Eisenlohr c6a188a1fe added CrystalFamily, CrystalLattice, CrystalKinematics typehints 2022-02-11 15:41:30 -05:00
Philip Eisenlohr 0a52ae3b6f polishing of help and style; relax to FloatSequence type where appropriate but keep doc at np.ndarray 2022-02-11 14:50:55 -05:00
Martin Diehl 9d1cc93a81 no need to store dotstate 2022-02-11 14:23:41 +01:00
Martin Diehl b43695067d Merge remote-tracking branch 'origin/development' into nonlocal-standard-access 2022-02-11 12:53:58 +01:00
Martin Diehl 7c18f3f276 simplified 2022-02-11 12:26:50 +01:00
Martin Diehl 90dabadf08 Merge remote-tracking branch 'origin/development' into dislotwin-fix-TWIP-TRIP 2022-02-11 06:05:09 +01:00
Test User 5f7a18c32d [skip ci] updated version information after successful test of v3.0.0-alpha5-608-g3e8d1a60d 2022-02-11 01:09:25 +01:00
Martin Diehl 3ee98164fa simplified 2022-02-10 23:55:05 +01:00
Martin Diehl b81116f62a not needed anymore 2022-02-10 23:13:37 +01:00
Martin Diehl 1364441703 better readable 2022-02-10 22:57:23 +01:00
Sharan Roongta 3e8d1a60de Merge branch 'no-global-dot-state' into 'development'
No need to store dotState

See merge request damask/DAMASK!519
2022-02-10 21:55:23 +00:00
Martin Diehl 1e3780b069 shortened 2022-02-10 21:31:52 +01:00
Martin Diehl 57e8fe2b8a need bracket for correct evaluation 2022-02-10 21:28:48 +01:00
Martin Diehl 2110690ae4 Merge remote-tracking branch 'origin/development' into no-global-dot-state 2022-02-09 22:53:04 +01:00
Test User 97d17ea50c [skip ci] updated version information after successful test of v3.0.0-alpha5-603-ge0ed668ce 2022-02-09 19:45:43 +01:00
Franz Roters e0ed668ce0 Merge branch 'Fortran-polishing' into 'development'
a number of small improvements

See merge request damask/DAMASK!516
2022-02-09 16:01:00 +00:00
Martin Diehl bd657e6c62 fixed style and corrected copy and paste errors 2022-02-09 12:29:55 +01:00
Test User 81c141e3d3 [skip ci] updated version information after successful test of v3.0.0-alpha5-574-g13783f87f 2022-02-08 17:58:03 +01:00
Daniel Otto de Mentock 8c6225794d adjusted return of Orientation.__ne__ function to return NotImplemented in case of wrong input type 2022-02-08 14:47:23 +01:00
Philip Eisenlohr 13783f87f2 Merge branch '155_flush-mesh-sta' into 'development'
update sta file after each inc

See merge request damask/DAMASK!518
2022-02-08 13:39:23 +00:00
Martin Diehl 28eda64893 bugfix: change of behavior
fraction needed for calculation of homogenized response
2022-02-08 00:24:06 +01:00
Martin Diehl 345659b0e8 update sta file after each inc 2022-02-07 15:09:26 +01:00
Martin Diehl 739a4b7a26 need to store fraction for proper homogenization 2022-02-07 14:25:03 +01:00
Martin Diehl e3a9adc722 not used 2022-02-07 07:20:15 +01:00
Test User 171193d0d7 [skip ci] updated version information after successful test of v3.0.0-alpha5-571-g1edc8442d 2022-02-07 00:44:17 +01:00
Martin Diehl 2a59251b1d deprecated reporting
crystallite does not exist anymore, information was discretization
related
2022-02-06 22:23:21 +01:00
Martin Diehl a37438ca29 helpful information about the parallel environment 2022-02-06 22:07:13 +01:00
Martin Diehl 1edc8442d5 Merge branch 'update-libraries' into 'development'
new PETSc/openMPI version

See merge request damask/DAMASK!517
2022-02-06 20:32:02 +00:00
Martin Diehl a6e83c70ec adjustments to follow de-facto standard in other parts of the python
library
2022-02-06 17:12:35 +01:00
Martin Diehl 0cf0112029 simplified 2022-02-06 15:59:46 +01:00
Martin Diehl 9386ba5ef5 allocate not needed 2022-02-06 12:59:41 +01:00
Martin Diehl 8f0a16e654 fine tuning parameters
more stable, still physically reasonable
2022-02-06 11:27:53 +01:00
Martin Diehl 59fdd9b586 in agreement with paper
this is the sytem-wise formulation of D. Steinmetz' model
2022-02-06 10:07:15 +01:00
Martin Diehl 1883919b3c working configuration
simulations are not particular stable, but trends are ok and values seem
reasonable
2022-02-06 08:11:05 +01:00