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DAMASK_EICMD
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4217 Commits

Author SHA1 Message Date
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 978aa8a690 Merge remote-tracking branch 'origin/development' into dislotwin-fix-TWIP-TRIP 2022-01-27 15:22:51 +01:00
Martin Diehl ea33b321aa correct calculation of shear 
need to convert volume to shear (and back for output)
 2022-01-27 08:08:42 +01:00
Martin Diehl 1e748dc54e commenting 2022-01-27 07:28:33 +01:00
Martin Diehl e7ed32ba4e not needed 2022-01-27 00:01:53 +01:00
Martin Diehl 3bb2ae45d3 bugfixes 
- L_tw/tr are not in lengths of Burgers vectors anymore
- need to define characteristic shear for tr
 2022-01-26 23:57:59 +01:00
Martin Diehl 7d0d13bfed following paper 
eq (10), eq (14), eq (49), eq (50), and Fig. 1
 2022-01-26 23:28:39 +01:00
Martin Diehl 9e17efd1f8 transformation is for fcc-> hcp 2022-01-26 23:13:56 +01:00
Martin Diehl 95fff5d6f7 limit to TWINNING to fcc 2022-01-26 23:01:47 +01:00
Martin Diehl 8ceab5326f more systematic handling of bcc/hcp case 2022-01-26 22:49:11 +01:00
Martin Diehl d9f96bc0ec following paper, eq. (36) and eq. (37) 2022-01-26 22:33:44 +01:00
Martin Diehl 60e6e90874 avoid global states 2022-01-26 22:21:34 +01:00
Martin Diehl 5267794ff2 second order expansion of temperature-dependent variables 2022-01-26 22:04:44 +01:00
Martin Diehl c5fd467b44 power to one not needed 2022-01-26 21:47:33 +01:00
Franz Roters e7a999ffb1 Merge branch '146_grid-indexing+allocation' into 'development' 
avoid duplicated variables + name adjustments

See merge request damask/DAMASK!505
 2022-01-26 14:52:43 +00:00
Martin Diehl 68ea33c591 start at 1 for the same loop pattern 2022-01-26 12:21:08 +01:00
Martin Diehl a86dc322fb consistently put the check on the next line 2022-01-26 12:18:26 +01:00
Martin Diehl f1051ec28f polishing 2022-01-21 23:34:42 +00:00
Martin Diehl 96fed368ad name adjustments 2022-01-21 14:51:46 +01:00
Martin Diehl bc1b391449 Merge remote-tracking branch 'origin/development' into 146_grid-indexing+allocation 2022-01-21 07:23:24 +01:00
Sharan Roongta c2a822d8fd keys() function for dictionary as in Python. 
Does not work for gfortran which fails with an ICE.
 2022-01-20 23:45:47 +00:00
Martin Diehl 292cbdee30 consistent name 2022-01-20 14:56:21 +01:00
Martin Diehl 7bd8452bf8 set return value 2022-01-20 07:56:45 +01:00
Martin Diehl 7b1080fdb7 better and consistent variable name 2022-01-20 07:42:16 +01:00
Martin Diehl 1f86111f57 call SNESSetDM after DMDASNESSetFunctionLocal 
following example ex5f.F90, seems to resolve segmentation fault
 2022-01-19 22:57:22 +01:00
Martin Diehl fe094939e6 better to understand 2022-01-19 19:43:54 +01:00
Martin Diehl 0f4f2b6717 use only grid, not (x/y/z) start and end 2022-01-19 19:38:07 +01:00
Martin Diehl 89cb018189 polishing 2022-01-19 18:58:46 +01:00
Martin Diehl 3d6dcad385 Merge remote-tracking branch 'origin/thermal-solver-improvements' into 146_grid-indexing+allocation 2022-01-19 18:50:55 +01:00
Martin Diehl 25ddec76e7 avoid (x/y/z)end and (x/y/z)start, same information is in grid 2022-01-19 17:41:16 +01:00
Martin Diehl 96ff3314a3 simplified 2022-01-19 17:10:47 +01:00
Martin Diehl 642df40634 one-based counting 2022-01-19 16:56:54 +01:00
Sharan Roongta 1ad537b60c better to use global grid dimensions 
also checking early allocation of Temperature field
 2022-01-19 16:54:10 +01:00
Martin Diehl b18483cc6e simplify MPI debugging 
needs manual modification in the source code
 2022-01-19 16:45:14 +01:00
Martin Diehl 869fdc847a Merge branch 'development' into misc-improvements 2022-01-18 11:02:18 +01:00
Martin Diehl c5fd6a3677 random seed should contain some entropy 
setting all elements to the same value does not make sense. Moreover,
negative values are allowed
 2022-01-18 10:47:26 +01:00
Philip Eisenlohr 8b5122f52a Merge branch 'physics-based-hex-interactions' into 'development' 
Physics based hex interactions

See merge request damask/DAMASK!495
 2022-01-17 15:24:05 +00:00
Sharan Roongta 40ee4d3dd1 Merge branch 'petsc-64bit-integer' into 'development' 
support for PETSc with 64bit integers

See merge request damask/DAMASK!496
 2022-01-17 09:16:39 +00:00
Franz Roters 1d2bbc8cd9 Merge branch 'dislotwin-fix-tangent' into 'development' 
corrected tangent calculation for twinning and transformation

See merge request damask/DAMASK!492
 2022-01-17 07:57:51 +00:00
Martin Diehl a37178ddee handle case of -0.0 
-0.0 < 0.0 ! false
so need sign to change direction for also for the corner case of -0.0
 2022-01-15 12:28:39 +01:00
Martin Diehl d1cd125a5b direct array reversal, don't duplicate FFTW manual 2022-01-15 12:27:07 +01:00
Philip Eisenlohr 2c054f2b38 use same hex-hex interaction documentation as webpage 2022-01-13 11:23:09 -05:00
Philip Eisenlohr 45e33782e4 documentating more hex interactions 2022-01-13 10:42:05 -05:00
Martin Diehl 82dabe29c1 mesh: separate kind for DAMASK and PETSc integers 2022-01-13 16:30:42 +01:00
Philip Eisenlohr 4562f4262c add documentation to source code 2022-01-13 10:14:36 -05:00
Martin Diehl 29530da579 use correct kind of constants for calls to MPI/PETSc 2022-01-13 13:50:30 +01:00
Martin Diehl 91a3ea96ec final MPI-DAMASK integer kind decoupling 
bugfix: set error for openMP-calucations
 2022-01-13 13:21:44 +01:00
Martin Diehl d7dbb6ffc2 needs to be public for Marc 2022-01-13 12:03:22 +01:00
Martin Diehl a7417a7ad7 default integer, PETSc integer, and MPI integer might be different 2022-01-13 12:02:33 +01:00
Martin Diehl a3a3388855 decouple DAMASK default integer from MPI default integer 2022-01-13 10:25:45 +01:00