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DAMASK_EICMD
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14828 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 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
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
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 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
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 345659b0e8 update sta file after each inc 2022-02-07 15:09:26 +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 0cf0112029 simplified 2022-02-06 15:59:46 +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
Martin Diehl 4ca0ea6af2 avoid linking issues with gfortran+MPI 
most likely related to the fact that HDF5 uses the old Fortran
inferface, not MPI_f08 as DAMASK
 2022-02-05 18:38:06 +01:00
Martin Diehl 12e7922faf use modern Fortran interface 
not possible for HDF5...
 2022-02-05 18:37:38 +01:00
Martin Diehl f36db86b3c better debug for gfortran, removing options not needed 2022-02-05 18:24:24 +01:00
Martin Diehl c25c17d0b6 reading the gcc manual 
-mtune is implied by -march, -ffast-math is not recommended, and
-mtune=native is save
 2022-02-05 10:57:18 +01:00
Martin Diehl ce1eb4f59e no need to store dot state 
saves memory and flow is easier to understand
 2022-02-03 23:40:25 +01:00
Martin Diehl a9a5c8fb73 simplify acces with pointer 
naming will be adjusted once global deltaState is removed
 2022-02-03 23:08:29 +01:00
Martin Diehl 85ca3a3f24 simplified/standardized 2022-02-03 22:57:32 +01:00
Martin Diehl 0807112a71 new tests with T_ref = 293.15K (20°C) 
seems to be the most common choice for room temperature
 2022-02-03 22:36:27 +01:00
Test User e940a02304 [skip ci] updated version information after successful test of v3.0.0-alpha5-568-g2cb3b2cc4 2022-02-03 13:47:57 +01:00
Martin Diehl a243e10641 Merge remote-tracking branch 'origin/development' into Fortran-polishing 2022-02-03 09:01:33 +01:00
Martin Diehl 2cb3b2cc45 not needed 2022-02-03 07:58:51 +01:00
Martin Diehl 5d55392425 Merge branch 'thermal-restart' into development 2022-02-03 07:53:05 +01:00
Martin Diehl cf2b22b34a does not exist for older numpy versions 2022-02-03 07:39:38 +01:00
Test User ef390ca916 [skip ci] updated version information after successful test of v3.0.0-alpha5-556-g97f849c09 2022-02-03 03:49:37 +01:00
Sharan 038cdad85e new naming 2022-02-02 23:58:21 +01:00
Sharan d72347fe25 Merge remote-tracking branch 'origin/development' into thermal-restart 2022-02-02 23:07:32 +01:00
Sharan 2a45d2d48d private updated 2022-02-02 23:00:53 +01:00
Martin Diehl 97f849c098 Merge remote-tracking branch 'origin/typehints_rngseed' into development 2022-02-02 22:45:52 +01:00
Test User 7078b5ec87 [skip ci] updated version information after successful test of v3.0.0-alpha5-552-ga6e78c5b6 2022-02-02 22:07:12 +01:00
Philip Eisenlohr a6e78c5b66 Merge branch 'remove-grain-growth' into 'development' 
grain growth not maintained and has issues

See merge request damask/DAMASK!510
 2022-02-02 16:52:54 +00:00
Philip Eisenlohr 368f4b2ed3 Merge branch '108_fix-thermalexpansion' into 'development' 
bugix: change of behavior

See merge request damask/DAMASK!513
 2022-02-02 16:45:13 +00:00
Martin Diehl d868a240b2 bugix: change of behavior 2022-02-02 16:45:13 +00:00
Martin Diehl 8fead8e306 relaxed tolerances 
for optimized code, the last digit might differ
 2022-02-02 13:48:04 +01:00