Commit Graph

166 Commits

Author SHA1 Message Date
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
Martin Diehl 00d6187325 public functions first 2020-02-29 17:04:29 +01:00
Martin Diehl 0c70eefb91 always assume indicators of length 3 2020-02-29 17:03:01 +01:00
Martin Diehl 4d227fab2b polishing 2020-02-29 14:34:19 +01:00
Martin Diehl 4935f90d5a polishing 2020-02-29 13:17:33 +01:00
Martin Diehl 2bc36121b2 less public variables, clearer names 2020-02-29 12:57:19 +01:00
Martin Diehl 13e2b0725a useful as external function 2020-02-29 12:20:40 +01:00
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