Commit Graph

251 Commits

Author SHA1 Message Date
Martin Diehl 8700d7784c avoid global variables 2020-02-29 11:10:23 +01:00
Martin Diehl 5350f3950f no need to store temporary variables 2020-02-29 06:38:08 +01:00
Martin Diehl 2b855940f5 not needed here 2020-02-28 21:54:32 +01:00
Martin Diehl e4fe152810 no public parameters 2020-02-28 21:44:40 +01:00
Martin Diehl 4c17963cd6 cleavage systems should reflect lattice symmetry
also {100} cleavage planes need investigation
2020-02-26 19:11:33 +01:00
Martin Diehl 7e30c10e82 internal functions need no prefix and are located at the end 2020-02-26 18:02:47 +01:00
Martin Diehl 33dc44e512 2 space indentation 2020-02-26 17:55:19 +01:00
Martin Diehl eacf0cc894 does not makes sense to have cleavage planes for isotropic
behavior can be recovered by using 'real' crystal structures and
suitable parameter (easiest for fcc/bcc)
2020-02-26 17:50:29 +01:00
Martin Diehl 1d77af66c0 preparing removal of initializeStructure 2020-02-26 07:23:29 +01:00
Martin Diehl 4889e75e52 clearer structure 2020-02-25 17:32:49 +01:00
Martin Diehl 00e14b9861 PGI does not allow sum in init for parameter 2020-01-04 01:04:20 +01:00
Martin Diehl 4ebd89c040 shape is known (no need for automatic allocation) 2020-01-03 13:47:04 +01:00
Martin Diehl a6ddbbd70c cleaning 2020-01-03 12:40:25 +01:00
Martin Diehl d81dc01ce0 we consider indvidual systems, not families 2020-01-03 12:14:20 +01:00
Martin Diehl c919237998 one loop is enough 2020-01-02 21:02:37 +01:00
Martin Diehl be319c5a83 single source of truth 2019-12-25 09:24:42 +01:00
Martin Diehl 34af10fac1 using default string length 2019-12-21 12:39:54 +01:00
Sharan Roongta 2c0264191e typo! 2019-10-18 17:13:19 +02:00
Martin Diehl b502300ffc get labels of slip and twin systems
this info is for HDF5 output
2019-10-10 13:11:02 +02:00
Martin Diehl 1d51443607 polishing/unifying names 2019-10-10 12:26:45 +02:00
Martin Diehl 02d7ead3ab better readable 2019-10-10 12:10:13 +02:00
Martin Diehl cf0e279d93 labels were not used
better use automated labeling of all systems
2019-10-10 10:48:55 +02:00
Martin Diehl 2d7293726c more useful order 2019-10-07 18:04:29 +02:00
Martin Diehl a963f1d2c3 better explicit 2019-09-21 09:16:58 -07:00
Martin Diehl 09c1150e3c more error checking 2019-09-20 18:16:08 -07:00
Martin Diehl c1d1c83088 better check input data 2019-09-20 17:49:55 -07:00
Martin Diehl a8b72c3f53 even better to read 2019-09-20 17:42:55 -07:00
Martin Diehl 7fe3e3b406 easier to read 2019-09-20 17:38:57 -07:00
Martin Diehl ad83c8541d same names as in python 2019-09-20 17:18:09 -07:00
Martin Diehl 7e6265b128 make use of consistency checks 2019-09-20 16:52:55 -07:00
Martin Diehl 42fba28fa1 getting rid of conversions with unclear behavior 2019-09-20 07:37:58 -07:00
Martin Diehl 08d2cdcb25 forall is deprecated in Fortran 2018 2019-09-19 14:24:13 -07:00
Martin Diehl 7fa979f800 removed unused function
were based on/used for deprecated orientation handling
2019-09-19 13:51:37 -07:00
Martin Diehl be0d961954 cleaning 2019-09-19 13:40:03 -07:00
Martin Diehl 2fc66cff5b better readable 2019-09-04 14:30:26 -07:00
Martin Diehl 951134d13f not needed 2019-06-04 12:06:16 +02:00
Martin Diehl 01e3b646c2 don't clutter the code with useless stuff
we only need to be more strict about prefixing
functions/subroutines/variables to see in which module they reside
2019-05-16 22:56:48 +02:00
Martin Diehl 1036c76ae0 to transpose already when constructing the interaction matrix 2019-04-13 00:46:27 +02:00
Martin Diehl c3925b3497 small polishing 2019-04-07 14:47:21 +02:00
Martin Diehl 453eb538f7 preparing for PGI compiler 2019-04-03 16:24:15 +00:00
Martin Diehl 4604e65a42 use matmul instead of hand-written functions
- performance is the same
- leaner code
- matmul works (was buggy a few years ago)
2019-04-03 08:22:04 +02:00
Martin Diehl 1869f2cdcd string length handling in-line with other functions 2019-03-26 06:27:13 +01:00
Martin Diehl 1ece0a1dfd better readable 2019-03-12 09:36:54 +01:00
Martin Diehl 1df8b22e23 clearer names 2019-03-12 09:28:06 +01:00
Martin Diehl 18fe8c34ee fortran fast storage of interaction matrices 2019-03-11 22:41:59 +01:00
Martin Diehl 0cdcc4de11 no pInt any more 2019-03-11 17:35:08 +01:00
Martin Diehl 7643d66654 bugfix, avoid error 2019-03-09 16:22:57 +00:00
Martin Diehl 55d55a156b following numpy syntax 2019-03-09 16:19:56 +00:00
Martin Diehl 22a3596561 simplified, trying to get rid of all public variables 2019-03-09 15:12:59 +01:00
Martin Diehl c74f453486 public variables not needed anymore 2019-03-09 15:12:59 +01:00
Martin Diehl f0d03a41ba fracture modes are calculated differently 2019-03-09 15:12:59 +01:00
Martin Diehl 3fa699ad22 indices were mixed up 2019-02-20 20:17:55 +01:00
Martin Diehl 2d51c0595b don't parse material.config any more 2019-02-20 19:03:20 +01:00
Martin Diehl d29b37f517 provide slip system components as functions 2019-02-20 07:53:34 +01:00
Martin Diehl 649750a1c9 let lattice to the work 2019-02-19 23:55:59 +01:00
Martin Diehl ae9d8e4e8d cleaning 2019-02-18 10:28:08 +01:00
Martin Diehl 8a30441a52 Merge branch 'development' into 32_NewStyleNonlocal-3 2019-02-18 07:14:11 +01:00
Martin Diehl 690fef6f06 avoid publicly avaialbe data, rather provide setters and getters 2019-02-17 20:38:57 +01:00
Martin Diehl c4b3ac3afb slip system definition for bcc still needed 2019-02-17 17:04:26 +01:00
Martin Diehl d3e6430b94 only used internally 2019-02-17 14:30:58 +01:00
Martin Diehl 7ad866b90f not needed any more 2019-02-17 12:16:12 +01:00
Martin Diehl 55cef533f1 conversion 3x3-matrix <-> 6-vector not helpful 2019-02-13 00:00:07 +01:00
Martin Diehl 99ef353446 more sanity checks
structure string can be now of arbitrary length (technically)
only fcc,hex,bcc,bct,ort are accepted labels
2019-01-25 13:42:38 +01:00
Martin Diehl cc858d3139 Merge branch 'development' into 44-column-major-access-to-interaction-matrices 2019-01-06 08:17:23 +01:00
Martin Diehl e083520c73 trans systems now handled centrally
remove inactive (= untested) definitions.
2018-12-22 07:49:52 +01:00
Martin Diehl e6d5992bb4 poviding stiffness for transformation as function 2018-12-22 00:19:51 +01:00
Martin Diehl f4cf38fa22 implementing C66 rotation for transformation 2018-12-21 23:53:21 +01:00
Martin Diehl 25bd6faf7c left over "if" caused wrong coordinate systems for hex 2018-12-14 06:39:49 +01:00
Martin Diehl 4edaab6da6 definition of cleavage systems did not work
bct definition was overly complicated
2018-12-13 11:11:45 +01:00
Martin Diehl 1446e9f4ab polished
sanity checks + documentation
2018-12-12 00:30:20 +01:00
Martin Diehl bf2b074787 make parameters obvious 2018-12-11 23:11:59 +01:00
Martin Diehl c29240c1c8 forestprojection can be calculated centrally 2018-12-11 23:00:56 +01:00
Martin Diehl ef23095332 using function for cleavage system definition
only internally since damage related constitutive laws will be
re-written anyway
2018-12-11 08:03:40 +01:00
Martin Diehl 1bcf41100d [skip ci] WIP: cleaning
contains a few bugs
2018-12-11 07:05:37 +01:00
Martin Diehl ee60ce0d98 further simplifications 2018-12-11 01:35:36 +01:00
Martin Diehl 2fac481a26 polishing/sorting 2018-12-11 00:39:50 +01:00
Martin Diehl 51d8011afe cleaned
- only define variables that are needed
- define variables where they are needed
2018-12-10 08:33:20 +01:00
Martin Diehl efbd50c931 parameters in bold allow easy distinction 2018-12-10 05:52:36 +01:00
Martin Diehl 0f106e77d9 cleaning 2018-12-09 22:20:18 +01:00
Martin Diehl 95826d094c not needed anymore 2018-12-09 22:00:04 +01:00
Martin Diehl 1b571d33a7 using trans-trans interactions from lattice 2018-12-09 21:10:14 +01:00
Martin Diehl 8424ba76ac never used 2018-12-09 20:54:49 +01:00
Martin Diehl 132f417dee Merge remote-tracking branch 'origin/development' into 44-column-major-access-to-interaction-matrices 2018-12-09 20:33:28 +01:00
Yi-Chin Yang efe90f86e2 missing comma 2018-11-23 19:00:37 +01:00
Yi-Chin Yang f0359d36b6 adding FCC {110}<110> family 2018-11-23 18:53:50 +01:00
Martin Diehl f88b78195a not need to repeat shape definition 2018-10-26 10:20:45 +02:00
Martin Diehl 2ca7807438 cleavage systems avaialable as function 2018-10-15 22:29:23 +02:00
Martin Diehl ef1899cfd0 improved error reporting
- tell user specifically whether number of systems is too high or too
low
- c/a sanity check can be done centrally
2018-10-10 07:42:07 +02:00
Martin Diehl 4da3923440 more straight-forward definition of array shape 2018-10-08 23:54:45 +02:00
Martin Diehl 78b5fa466d fixed hick-up in lattice definitions 2018-10-08 19:32:18 +02:00
Martin Diehl 71d80cc203 sanity check too strong
still makes sense to have, but some tests need to be updated before
setting it active again
2018-10-08 13:27:15 +02:00
Martin Diehl 2a79f7ea61 taking care of c/a for hex and bct 2018-10-08 13:25:40 +02:00
Martin Diehl 5efcad952a avoid type conversion
more systematic checking of correct input parameters
2018-10-08 08:28:56 +02:00
Martin Diehl 302cf9b6c2 bugfix, now inline with code from initializeStructure 2018-10-07 22:16:18 +02:00
Martin Diehl facb1c2407 unified error checking 2018-10-07 20:03:45 +02:00
Martin Diehl 0e17b17b90 using full precision 2018-10-07 18:40:02 +02:00
Martin Diehl 34e0aca564 using full precision 2018-10-07 18:18:24 +02:00
Martin Diehl a53488d666 calculation of slip/twin/trans/damage-coordinate system was wrong 2018-10-07 15:44:13 +02:00
Martin Diehl 032c35a499 WIP: Calculation of elasticity matrices for twin and trans 2018-10-06 10:42:25 +02:00
Martin Diehl 81a77b508a check for array size was off by 1 2018-10-05 22:46:53 +02:00
Martin Diehl 40cf7f134d Merge branch '44-column-major-access-to-interaction-matrices' of magit1.mpie.de:damask/DAMASK into 44-column-major-access-to-interaction-matrices 2018-10-05 11:08:29 +02:00
Martin Diehl aa34b83978 avoid array out of bounds
allows to handle un- or partly defined non schmid coefficients
2018-10-05 10:36:44 +02:00
Martin Diehl 6ccbc5e4e6 characteristing shear is defined per system 2018-10-05 07:20:51 +02:00
Martin Diehl 3a00fcde16 WIP: characteristic shear calculated in lattice 2018-10-05 05:09:31 +02:00
Martin Diehl fda2676365 calculate only if required 2018-10-05 04:54:47 +02:00
Martin Diehl 79b0efc678 also using nonSchmid matrix from lattice 2018-10-04 21:20:42 +02:00
Martin Diehl ec77d4450b checking for required things 2018-10-03 09:17:06 +02:00
Martin Diehl db645efda7 function to calculate nonSchmid matrix 2018-10-03 08:49:23 +02:00
Martin Diehl 103b46ecbb don't repeate code over different plastic_xxx modules 2018-10-03 07:58:02 +02:00
Martin Diehl 89e03be699 also building interactions for slip-twin and twin-slip 2018-10-03 07:51:11 +02:00
Martin Diehl 67c55965e9 segmentation fault, tried LHS with scalar
Nxx per system is stored in LATTICE_yyy_NxxxSYSTEM
Using CAPITALS for parameters improves readbility
2018-10-03 06:45:42 +02:00
Martin Diehl 384a785805 more sevice functions use
still trying
2018-10-01 23:02:31 +02:00
Martin Diehl ff2614b757 using 'service functions' from lattice
get rid of many global array on the long run
2018-10-01 22:48:14 +02:00
Martin Diehl 55511782e8 incomplete transition/renaming
caused segmentation fault
2018-09-14 08:19:39 +02:00
Martin Diehl cc20b044a6 forgot to allocate array now used internally only 2018-09-13 09:27:54 +02:00
Martin Diehl 4e68d049a8 WIP: calculating rotated stiffness matrices for transformation 2018-09-12 20:37:55 +02:00
Martin Diehl b95174a8b7 reducing global variables 2018-09-12 16:16:31 +02:00
Martin Diehl 192bb6453d cleaning 2018-09-12 15:57:54 +02:00
Martin Diehl 0a621ece8b WIP: polishing and implementing remaining functions 2018-09-12 14:29:22 +02:00
Martin Diehl f1f8922ab8 more meaningful error messages 2018-09-12 14:03:45 +02:00
Martin Diehl 3d49c70dbc commenting 2018-09-08 20:15:17 +02:00
Martin Diehl b96e01c128 Merge branch 'development' into lattice-builds-interaction 2018-08-30 05:41:40 +02:00
Martin Diehl 42f8b0a063 labels of slip and twin systems for more self-explanatory output 2018-08-28 12:27:56 +02:00
Martin Diehl 5b3bed3e48 functionality to calculate SchmidMatrices 2018-08-25 18:32:55 +02:00
Martin Diehl d3db0d816c ordered by dimension and set private where possible 2018-08-25 17:29:20 +02:00
Martin Diehl 1c76e156d9 new symmetry handling will be handled in a different branch 2018-08-25 17:19:48 +02:00
Martin Diehl 22a232ad08 bug: memory access out of bounds
introduced when moderninzing reading in of parameters
2018-08-25 15:50:43 +02:00
Martin Diehl 025cbddd00 generic function and interfaces for slipSlip, twinTwin, transTrans 2018-08-25 13:08:32 +02:00
Philip Eisenlohr c03ea8f5c7 added forgotten C66(2,2) read-in from parameter database 2018-08-17 15:43:09 -04:00
Martin Diehl 661636d83e default values needed to suppress error in case of missing key 2018-08-04 22:53:56 +02:00
Martin Diehl c2f9709567 leaner, most of it also supported by older gcc 2018-08-03 08:42:26 +02:00
Martin Diehl af931a78c7 finalizing reading in 2018-08-03 08:09:28 +02:00
Martin Diehl a908e66306 WIP: reading in new style 2018-07-30 11:58:59 +02:00
Martin Diehl ed97afb51c WIP: inherent definition instead of check, using new reading in functionality 2018-07-29 21:18:04 +02:00
Martin Diehl e7fd445816 WIP: Simplifying
using maxval gives inherently correct values and a consistency check is not needed any more
using config_phase capabilities to read in lattice related data
2018-07-20 14:13:13 +02:00
Martin Diehl 9c12ce5539 more general name (should include parsing of debug and numerics) 2018-06-14 06:39:49 +02:00
Martin Diehl 91d9c11612 material.config is read in centrally
moving data from material to config_material. use statements need to
change. All aspects of reading from file will be removed from the
individual modules
2018-06-10 18:01:52 +02:00
Philip Eisenlohr bc998846ab thermal expansion coefficient alpha = a + b(T-T_0) + c(T-T_0)^2 2018-02-25 14:14:03 -05:00
Martin Diehl d80e15bd76 compiler_options and compiler_version supported by new Intel compiler 2018-02-02 12:36:09 +01:00
Martin Diehl c81a438546 SCHMID-BOAS notation for reference 2017-11-18 22:39:13 +01:00
Martin Diehl e9440ccd6f suppress warning when compiling with gfortran 2017-10-05 16:35:34 +02:00
Martin Diehl b35ff67f99 using IEEE_is_NAN and IEEE_quiet_NaN instead of hand-written solution, will not work for gfortran < 5 2017-05-04 00:32:44 +02:00
Martin Diehl a0af685883 compiler complained 2017-04-25 12:34:14 +02:00
Martin Diehl a5f8c5ba32 Merge branch 'development' into cmake 2017-04-15 16:17:50 +02:00
Martin Diehl cf36d4534f adjusting to development branch 2017-02-03 20:16:25 +01:00
Martin Diehl d86074829c Merge branch 'development' into cmake 2017-02-03 19:28:23 +01:00
zhangc43 513e3543b0 fix merging conflict 2016-04-26 14:23:05 -04:00
zhangc43 4eb45708a5 revert to old lattice.f90 file to suport ifrot v15.0 2016-04-25 09:55:50 -04:00
zhangc43 e0f8699605 remove plastic_j2 2016-04-25 09:40:44 -04:00
Chen Zhang 672c8d0606 Merge remote branch 'origin/development' into cmake 2016-04-18 09:11:29 -04:00