Commit Graph

207 Commits

Author SHA1 Message Date
Martin Diehl f6378790f1 following python
we might want to rename the whole module from 'lattice' to 'crystal'
2021-07-23 06:46:17 +02:00
Martin Diehl 8feeda6f05 phase_mechanical_elastic should store data related to elasticity 2021-07-21 16:23:21 +02:00
Martin Diehl 431416b5ba Separating functionality
lattice should become a module with static data and functions
2021-06-01 07:56:55 +02:00
Sharan Roongta 4669c289c7 Merge remote-tracking branch 'origin/development' into Fortran-cleaning 2021-05-28 15:00:06 +02:00
Martin Diehl bdb4029fb5 tI symmetry of 2nd order tensor is equivalent to hP 2021-05-26 22:49:53 +02:00
Martin Diehl 24e862105c ensuring correct lattice symmetries 2021-05-25 06:05:51 +02:00
Martin Diehl 299c47fd6f prepare for varying C66
- check structure centrally
- pure function with guaranteed return/no stop
2021-05-24 20:33:50 +02:00
Martin Diehl f525999f52 updated tests 2021-05-24 20:12:34 +02:00
Martin Diehl 0d0bc188eb potentially less error prone (and easier to read) 2021-05-24 17:17:27 +02:00
Martin Diehl 40698740aa fixed symmetry handling
- ort not tested, no examples, no documentation => removed
- aP is the opposite of isotropic => removed

isostropic materials can be easily specified as cI or cF, using C_44 =
1/2 * (C_11 - C_12). Acceptable extra effort for special use case

orthorhombic can be easily implemented if needed, but needs test,
documentation, and examples
2021-05-24 15:45:25 +02:00
Martin Diehl 4d889e0b1b Merge remote-tracking branch 'origin/development' into Fortran-cleaning 2021-05-23 21:24:53 +02:00
f.basile 10c6070873 added {123} slips systems of bcc 2021-05-20 18:45:15 +02:00
Martin Diehl 053c427509 adjusting to new interaction matrices 2021-05-09 14:50:55 +02:00
Martin Diehl c9c8631e7b including documentation from damask.mpie.de 2021-05-09 10:58:43 +02:00
f.basile 8277d88799 new interaction matrix for bcc from Madec2017 2021-05-07 10:42:47 +02:00
f.basile cc855be822 new interaction matrix for FCC, 1,2,3,4 are unchanged, 5 can now be 5 or 6, old 6-12 are add +1 and now are 7-13 2021-05-07 10:32:31 +02:00
f.basile d64ad82ce0 use negative numbers to have unique names for the {112} slip system in BCC 2021-05-07 10:24:04 +02:00
Martin Diehl f655a6fe5c store data locally 2021-04-11 14:30:10 +02:00
Martin Diehl d488f1708a consistent naming 2021-04-11 07:41:59 +02:00
Martin Diehl 3b392281e4 consistent naming in HDF5 output 2021-03-25 19:22:59 +01:00
Martin Diehl 72c099dbbe store data separetly 2021-02-13 15:06:27 +01:00
Martin Diehl 228398e787 config follows structure 2020-12-31 09:10:59 +01:00
Martin Diehl 1ac5465d65 using central functionality 2020-12-28 11:03:29 +01:00
Martin Diehl c712332e87 using consistent names for Bravais lattice in Fortran and Python 2020-11-28 22:38:12 +01:00
Sharan Roongta 2157bf50cd mech --> mechanics 2020-11-17 22:21:35 +01:00
Martin Diehl cd7ada0da9 use Fortran internals for error handling 2020-11-11 20:09:14 +01:00
Martin Diehl 8e89452791 not needed 2020-11-11 13:59:37 +01:00
Sharan Roongta 7b761476e4 under mech dictionary 2020-11-03 00:48:16 +01:00
Sharan Roongta 40d28456af Merge branch 'development' into variableName=ParameterName 2020-09-24 13:13:19 +02:00
Sharan Roongta c72240323e applied to lattice variables 2020-09-23 01:50:13 +02:00
Martin Diehl 41fbc58c1b standard conforming name 2020-09-22 13:09:12 +02:00
Martin Diehl 63f9078f04 don' hardcode output unit
replaced remaining write(6,..), flush(6) with write(OUTPUT_UNIT,...),
flush(OUTPUT_UNIT)
2020-09-22 12:15:36 +02:00
Martin Diehl 797073b015 print choses output unit automatically, no need to rely on 6
also shorter...
2020-09-17 19:28:41 +02:00
Martin Diehl 316c5f7d20 internal errors (do not depend on user input) 2020-09-13 12:20:44 +02:00
Martin Diehl 5b83c8ad3c use 'error stop'
- does not require IO
- prints stack trace
2020-09-13 12:09:32 +02:00
Martin Diehl b499578a95 prefix should be name of the module
poor substitute for namespace
2020-09-13 10:39:17 +02:00
Sharan Roongta 7754a1ea56 Restructuring for material.yaml 2020-08-15 16:08:46 +02:00
Martin Diehl ae20ab8d42 more reasonable name 2020-05-16 17:05:03 +02:00
Martin Diehl 1ccd3aab89 suppress warnings
the compiler does not know that IO_error terminates the program
2020-05-15 22:33:38 +02:00
Martin Diehl 5a4a7393b9 statements belong together 2020-04-28 19:17:34 +02:00
Martin Diehl b6596a0310 compiler can do the counting 2020-03-29 19:17:24 +02:00
Martin Diehl e1bd49a12b constants/parameters in capitals 2020-03-17 08:17:14 +01:00
Martin Diehl fecd1586b0 using notation from paper 2020-03-16 23:31:43 +01:00
Martin Diehl 7b3b4ffb1c following python style 2020-03-16 11:14:27 +01:00
Martin Diehl 33aaa94865 use centralized (and tested) funtionality 2020-03-14 17:29:08 +01:00
Martin Diehl 8bd708f3b1 correct type 2020-03-14 13:53:21 +01:00
Martin Diehl 5c4ddf5138 Merge branch 'development' into MiscImprovements 2020-03-14 12:52:30 +01:00
Martin Diehl 07ecf60722 more explicit and flexible 2020-03-13 14:03:04 +01:00
Martin Diehl aa75591ea9 no need to prefix internal parameters
also, use CAPITALS for parameters, but not for module prefixes (does not
work for IO and HDF5 anyway)
2020-03-10 13:45:00 +01:00
Martin Diehl 39b2f8d2d9 clearer name 2020-03-10 06:13:54 +01:00