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DAMASK_EICMD
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15154 Commits

Author SHA1 Message Date
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
Martin Diehl 20b2079135 need to read V_mol, default of 1.0 gives strange results 2022-02-06 08:10:35 +01:00
Martin Diehl 519ca6f990 ifort does not allow rename of already imported symbols 2022-02-05 20:00:55 +01:00
Martin Diehl dce0ad9211 new PETSc/openMPI version 2022-02-05 18:40:10 +01:00