Commit Graph

4244 Commits

Author SHA1 Message Date
Martin Diehl 99c2f58553 ensure that data is read 2022-02-12 22:38:58 +01:00
Martin Diehl 2110690ae4 Merge remote-tracking branch 'origin/development' into no-global-dot-state 2022-02-09 22:53:04 +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
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
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 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 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 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
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
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
Martin Diehl 97f849c098 Merge remote-tracking branch 'origin/typehints_rngseed' into development 2022-02-02 22:45:52 +01:00
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
Sharan 3e73d28631 Merge remote-tracking branch 'origin/development' into thermal-restart 2022-02-01 23:07:55 +01:00
Martin Diehl a14735f3db first step towards removal of global dot state
less state => better code
2022-02-01 13:40:09 +01:00
Martin Diehl 4eb9c3dea7 correct name 2022-02-01 13:40:09 +01:00
Martin Diehl 49ca62f3af only Chuck Norris can divide by zero 2022-02-01 11:22:27 +01:00
Martin Diehl 1871dcd75a small polishing 2022-02-01 09:03:39 +01:00
Martin Diehl 08d3e22bcd size is known 2022-02-01 08:35:00 +01:00
Martin Diehl 39aa243695 Polynomial Class 2022-01-31 14:05:15 +00:00
Martin Diehl a673abb413 indicate that this mapping should be used only for C 2022-01-30 06:24:50 +01:00
Martin Diehl f70df11b67 consistent reporting 2022-01-29 15:59:22 +01:00
Martin Diehl 762f93d724 following naming convention 2022-01-29 15:30:59 +01:00
Martin Diehl 487912cfb0 following Python notation 2022-01-29 15:14:40 +01:00
Martin Diehl 477f2d8167 capitalize constants 2022-01-29 14:49:45 +01:00
Martin Diehl 774ec4e8c4 not used 2022-01-29 14:47:14 +01:00
Martin Diehl dd0f2cfa3c tau is often easier to use than pi
https://tauday.com/tau-manifesto
2022-01-29 14:46:09 +01:00
Martin Diehl 4a84c42112 improving constants
IUPAC does not specify an official ambient temperature, T=273.15K from
standard temperature and pressure (STP) is not particularly suited for our
purposes
2022-01-29 13:49:41 +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