Commit Graph

4428 Commits

Author SHA1 Message Date
Martin Diehl 5b8e5591ed Merge remote-tracking branch 'origin/development' into order4-polynomial 2022-05-08 14:35:48 +02:00
Martin Diehl 240426402c using (faster) Horner evaluation
https://rosettacode.org/wiki/Horner%27s_rule_for_polynomial_evaluation
2022-05-08 13:32:14 +02:00
Martin Diehl 72c29f744c better tests 2022-05-08 12:49:29 +02:00
Martin Diehl 7d18ed307d hickup in documentation 2022-05-08 09:30:26 +02:00
Martin Diehl 2741fbd977 whitespace adjustments
- 1 empty line between dummy arguments/return value
- 2 empty lines between variable definition and actual code
2022-05-08 09:27:21 +02:00
Martin Diehl ec184cb8fe need to relax absolute tolerance
absolute values for quartic become quite high
2022-05-08 08:30:58 +02:00
Martin Diehl 9605a5c2de polynomial expansion up to order 4 2022-05-07 23:04:06 +02:00
Martin Diehl 71e4fa222c generic code for variable order 2022-05-07 22:53:31 +02:00
Martin Diehl 70b9943920 allow to specify only quadratic term in Dict 2022-05-07 22:47:13 +02:00
Martin Diehl 7cf3bcb9c9 easier to read 2022-05-07 22:01:47 +02:00
Franz Roters 7eddfab994 Merge branch 'development' into Marc2022.1 2022-05-06 18:18:55 +02:00
Franz Roters da595d46db add support for Marc2022.1 2022-05-04 14:56:50 +02:00
Franz Roters 6236ad52d1 consistent naming 2022-05-03 13:00:28 +02:00
Franz Roters fc4619189f unified capitalization 2022-05-03 12:55:27 +02:00
Martin Diehl be39865ff7 more systematic naming 2022-05-02 09:52:15 +02:00
Martin Diehl e29a732d9f improved naming 2022-04-29 14:58:12 +02:00
Martin Diehl 730cda2020 more explicit name 2022-04-29 14:50:27 +02:00
Martin Diehl bb83d20fe9 Merge branch 'development' into structure-improvements 2022-04-27 05:55:19 +02:00
Philip Eisenlohr dece12a1a6 remove unused CLI module inclusion 2022-04-26 12:19:13 -04:00
Martin Diehl 7a4097d52b Marc code belongs to Marc subfolder 2022-04-24 19:03:22 +02:00
Martin Diehl d41d03015a better matching name 2022-04-24 17:38:59 +02:00
Martin Diehl 26ab0365be only used by the grid solver 2022-04-24 17:30:37 +02:00
Martin Diehl 91b71fdff8 systematic naming scheme 2022-04-24 04:45:41 +02:00
Martin Diehl b80b406ad5 more specific name
'interface' can be an interface to anything, 'CLI' is an established
abbreviation for 'command line interface'
2022-04-23 16:09:31 +02:00
Martin Diehl 0e65d44bdc separating functionality
signal handling and CLI handling are not really related
2022-04-23 14:46:26 +02:00
Martin Diehl 690b2e9c21 tolerances were to strict for certain operations 2022-04-22 07:18:53 +02:00
Martin Diehl 745f5348cd running new tests 2022-04-22 00:01:54 +02:00
Martin Diehl df3f4d9480 testing forward/backward FFT 2022-04-20 07:02:59 +02:00
Martin Diehl dff78154a0 Merge branch 'fast-list-append' into 'development'
Performance improvements when storing/retrieving data from YAML

Closes #180

See merge request damask/DAMASK!561
2022-04-20 03:31:10 +00:00
Philip Eisenlohr 4a93dbec11 more descriptive variable names 2022-04-19 13:11:40 -04:00
Martin Diehl b796ccb04a DAMASK requires gfortran >= 9 2022-04-18 13:18:14 +02:00
Martin Diehl 808ef139ae avoid code duplication by using assumed rank "(..)"
- lack of modern Fortran interface for HDF5 still requires branching to
  call the same code
- not sure how to handle the read function (assumed rank and intent(out)
  ) does not work together
2022-04-18 13:16:45 +02:00
Martin Diehl 954a336d92 Fortran side does not support tags (i.e. 'type hints') 2022-04-16 16:24:29 +02:00
Martin Diehl 3cc3229792 string new line which is added by libfyaml 2022-04-16 16:19:33 +02:00
Martin Diehl f9c43e9db7 Merge remote-tracking branch 'origin/development' into consistent-damage-parameter-names 2022-04-15 10:32:36 +02:00
Martin Diehl dbf5ee84cb better readable 2022-04-14 21:21:32 +02:00
Martin Diehl b56176d670 all YAML related initialization is constant (linear in number of points) 2022-04-14 16:17:17 +02:00
Martin Diehl 3309360e4b avoit out of bounds access 2022-04-14 07:20:16 +02:00
Martin Diehl 563d566a3f made two loops faster
the most annoying one is still slow.
2022-04-14 06:39:19 +02:00
Martin Diehl ca0df3389a avoid long pointer transversal 2022-04-14 00:06:54 +02:00
Martin Diehl 00671f943b easier to understand 2022-04-13 23:45:14 +02:00
Martin Diehl c806885cb5 include libfyaml headers from non-standard locations
the CMake manual promises more than it holds.
Also adding some diagnostics+fixes for zlib, we still assume that it
exists (true on most systems, HDF5 also requires it normally)
see also https://stackoverflow.com/questions/21593
2022-04-13 07:58:31 +02:00
Martin Diehl 723252ef15 libfyaml backend
currently it simply converts the whole file content to flow mode.
The nice thing is: It can convert EVERYTHING to flow mode. libfyaml is
the only library that passes the whole YAML test suite
2022-04-12 23:24:07 +02:00
Martin Diehl 0376de4a11 not needed 2022-04-04 08:17:06 +02:00
Martin Diehl 34cc66f1bf use old interface for previous PETSc versions 2022-04-04 08:14:48 +02:00
Martin Diehl 8d44c55141 support for PETSc 3.17.0
DCHKERRQ has been replaced by PetscCall
2022-04-03 17:56:17 +02:00
Martin Diehl fb633798af following paper 2022-04-01 19:47:40 +02:00
Martin Diehl 945b10e3e6 avoid segmentation fault (null is returned if not scalar) 2022-03-20 00:00:52 +01:00
Martin Diehl 8f9ba9d6e4 test with initial conditions in grid file 2022-03-10 18:51:27 +01:00
Martin Diehl e8383cec69 Merge remote-tracking branch 'origin/development' into initial-temp 2022-03-10 08:52:05 +01:00
Martin Diehl 790ca57ea0 specify initial temperature per point 2022-03-09 21:29:40 +01:00
Martin Diehl da5ba82299 initial condition can be specified per point/cell 2022-03-09 20:40:03 +01:00
Martin Diehl c2453c56f1 Merge remote-tracking branch 'origin/development' into polishing 2022-03-09 15:22:22 +01:00
Philip Eisenlohr 73f01c07d0 clarified colormap default; accept string as colormap name 2022-03-08 09:31:08 -05:00
Martin Diehl b86292d19c Merge branch 'state-type-cleanup' into polishing 2022-03-06 09:31:25 +01:00
Martin Diehl 612f739794 homogenization state is not integrated 2022-03-06 08:33:36 +01:00
Martin Diehl d8de8f8b39 initial conditions are of type real 2022-03-05 22:13:37 +01:00
Martin Diehl f7b18981c9 shorter names (w/o loss of clarity) 2022-03-04 20:17:08 +01:00
Martin Diehl 802957f61e Merge remote-tracking branch 'origin/development' into separate-vtk 2022-03-01 22:52:36 +01:00
Martin Diehl 954b720992 Merge remote-tracking branch 'origin/development' into polishing 2022-03-01 21:41:27 +01:00
Martin Diehl 0604d94e31 also store stdout 2022-02-28 19:02:46 +01:00
Martin Diehl 2cf904fe49 output to logfile helfulf for debug, especially with MPI 2022-02-28 18:54:46 +01:00
Martin Diehl ad8758b340 better don't have unlimited time for planning as default 2022-02-28 16:15:07 +01:00
Martin Diehl 7ee440c1b1 separating functionality for more flexibility 2022-02-28 01:35:39 +01:00
Martin Diehl efa30d1f3a functions don't need acces to variables of function
better keep them out
2022-02-27 17:27:47 +01:00
Martin Diehl 1cae6c4533 keep functionality separated 2022-02-27 17:02:13 +01:00
Martin Diehl c8e70ada62 extend to multiple homogenization scheme 2022-02-27 16:58:40 +01:00
Martin Diehl 53fe11484d not used 2022-02-27 15:50:55 +01:00
Martin Diehl f78c422af9 easier to understand
the condition is there to avoid problems if the dataset is not created
because it is empty (e.g. requesting xi_sl for Nslip=[0])
2022-02-27 15:50:43 +01:00
Martin Diehl 3ee0434836 avoid nasty error in MPI parallel situations 2022-02-24 15:18:37 +01:00
Martin Diehl 28ffdb7c1c simplified 2022-02-24 12:41:14 +01:00
Martin Diehl 2bdf0d11cb check N_constituents only if active 2022-02-24 12:13:22 +01:00
Martin Diehl 8a84f6b07f origin can be negative 2022-02-24 11:24:54 +01:00
Martin Diehl cf3f869877 make clear that mechanical is always initialized 2022-02-23 06:19:16 +01:00
Martin Diehl 852959e1b8 call correct funtion
does nothing than reporting at the moment
2022-02-23 05:44:12 +01:00
Martin Diehl 339d081dd5 simplified logic to reflect what we are doing 2022-02-23 05:42:44 +01:00
Martin Diehl 94c6542122 more helpful error message 2022-02-23 05:33:30 +01:00
Sharan 9ff31d4f2b suggested changes from MR !530 2022-02-22 23:16:14 +01:00
Sharan 176b7b200a Merge remote-tracking branch 'origin/development' into thermal-partioning 2022-02-22 23:08:19 +01:00
Sharan Roongta 3657b2316d Merge branch 'homogenization-output' into 'development'
extra output in phase_thermal and homogenization_mechanical

See merge request damask/DAMASK!530
2022-02-22 11:08:27 +00:00
Sharan Roongta e26e8c715f pass data to homogenization and phase level at the same time 2022-02-21 22:40:41 +01:00
Martin Diehl f6bcabd328 Update crystal structure name 2022-02-21 09:00:00 +00:00
Martin Diehl 2f08624c18 Use centrally defined room temperature 2022-02-19 21:42:38 +01:00
Martin Diehl dce8f9e635 enable output of temperature per phase 2022-02-19 18:56:41 +01:00
Martin Diehl 968e55b0bc output homogogenized F and P
was disabled for historic reasons only
2022-02-19 15:35:38 +01:00
Martin Diehl b44a862a8a data structures to output mechanical results (homogenization) 2022-02-19 14:19:11 +01:00
Martin Diehl d97f515b77 polishing
RGC numerics is still annoying (and was probably never used in the last
10 years)
2022-02-19 13:56:24 +01:00
Philip Eisenlohr 66e4632655 Merge branch 'parallel-mesh' into 'development'
avoid deadlock for MPI runs

See merge request damask/DAMASK!526
2022-02-17 21:37:37 +00:00
Martin Diehl cfe01b83f8 avoid deadlock for MPI runs 2022-02-17 21:37:37 +00:00
Philip Eisenlohr 41389963a7 Merge branch 'python-polishing' into 'development'
python polishing

See merge request damask/DAMASK!528
2022-02-17 20:23:54 +00:00
Martin Diehl eca57d3b5f Merge remote-tracking branch 'origin/development' into dislotwin-fix-TWIP-TRIP 2022-02-17 08:17:39 +01:00
Martin Diehl 89a914bbe7 correct reporting of units 2022-02-17 07:13:39 +01:00
Franz Roters 6fce27deeb Merge branch 'homogenization-respect-fraction' into 'development'
bugfix: change of behavior

See merge request damask/DAMASK!525
2022-02-16 14:30:35 +00:00
Navyanth Kusampudi b0bbb1c286 Merge branch 'spectral-polish' into 'development'
Spectral polish

See merge request damask/DAMASK!524
2022-02-15 12:32:09 +00:00
Martin Diehl c66e2336c2 some versions of ifort have problems with 'do concurrent' 2022-02-14 15:08:35 +01:00
Martin Diehl ebcf0fa625 Merge remote-tracking branch 'origin/development' into homogenization-respect-fraction 2022-02-14 09:19:49 +01:00
Martin Diehl 466682e978 missing rename grid -> cells 2022-02-14 08:32:48 +01:00
Martin Diehl 61e11a0529 use openMP for operations in Fourier space 2022-02-14 08:30:24 +01:00
Philip Eisenlohr 1ecbeb6924 Merge branch 'more-material-examples' into 'development'
added and curated example material.yaml files

See merge request damask/DAMASK!521
2022-02-14 05:06:54 +00:00
Martin Diehl 0008ad1bf8 easier to understand 2022-02-14 05:57:48 +01:00