Commit Graph

6665 Commits

Author SHA1 Message Date
Martin Diehl a9845c4bf8 using wrong default for dipole formation 2018-07-06 18:57:37 +02:00
Martin Diehl 580a0bbedd reading in interaction parameters, looping only over existing families 2018-07-05 13:09:11 +02:00
Martin Diehl 9d993de256 should not be executable 2018-07-03 19:34:26 +02:00
Martin Diehl cc0db1a577 WIP: compiles 2018-06-27 17:38:52 +02:00
Martin Diehl 158e6fd601 Merge branch '30_parsePhasePartOnce' into 20-NewStyleDislotwin 2018-06-27 11:24:42 +02:00
Sharan Roongta 90d9724b9f Reading in of parameters using list 2018-06-27 11:22:16 +02:00
Martin Diehl 78f9a107fe exception for empty list 2018-06-27 09:04:14 +02:00
Martin Diehl fc83a76318 consistent naming 2018-06-26 20:54:54 +02:00
Martin Diehl ea80e04ea8 deallocating config, simplifying 2018-06-26 20:50:06 +02:00
Martin Diehl bb415e8a02 using array size not to rely on correctly set variable, cleaning crystallite data after use 2018-06-26 20:33:41 +02:00
Martin Diehl 98cc56968e don't rely on a variable, use the array size directly 2018-06-26 20:33:02 +02:00
Martin Diehl d786ead381 freeing space
debug statements have been inactive for a while ...
2018-06-26 20:31:52 +02:00
Martin Diehl 1abe747204 possibility to deallocate material.config parts 2018-06-26 20:30:41 +02:00
Martin Diehl a68c466fc6 simplified 2018-06-26 19:18:23 +02:00
Martin Diehl 66a254f8fb polishing 2018-06-26 19:09:46 +02:00
Martin Diehl 6a75021bca need to check at the beginning
wrong logic in case default was overwritten
2018-06-26 19:09:08 +02:00
Martin Diehl 92bcf3a7aa function to free elements of the string list.
Note: Pointers that are allocated will never go out of scope. Pointers
that are assigned (=>) will be deallocated/disaccociated like allocatables
that go out of scope
2018-06-26 18:48:29 +02:00
Philip Eisenlohr b907acfbfa improved if then else logic here and there 2018-06-26 11:36:45 -04:00
Martin Diehl a5ca26ab10 bug (copy and paste): fiber should be counted, not gauss 2018-06-26 08:20:40 +02:00
Martin Diehl 0680b1706f improved error handling 2018-06-26 07:56:20 +02:00
Martin Diehl a91fa75a28 sanity check, something is going wrong with intel 16.0 2018-06-26 07:38:41 +02:00
Sharan Roongta 2480d2f1ba Reading in of parameters made consistent 2018-06-25 20:07:35 +02:00
Sharan Roongta 57c6f44dfc Merge branch '30_parsePhasePartOnce' into 20-NewStyleDislotwin 2018-06-25 15:36:23 +02:00
Sharan Roongta 300b2827b2 Using new functions for parsing material config 2018-06-25 15:28:15 +02:00
Martin Diehl 1add0f3d84 gfortran does not recognice an empty array as 'present' 2018-06-22 08:03:22 +02:00
Martin Diehl c5ebe3510f simplified by using empty string list as default 2018-06-21 23:49:07 +02:00
Martin Diehl c5b00e7a6c consistent description 2018-06-21 23:48:34 +02:00
Martin Diehl 367e6a4eee consistent string length (de-facto standard 65536) 2018-06-21 22:39:18 +02:00
Martin Diehl bed9220597 consistent string name and more verbose "prm" for shortcut parameters 2018-06-21 22:38:48 +02:00
Martin Diehl f61f22924a empty string list as default value simplifies logic 2018-06-21 22:38:06 +02:00
Martin Diehl adefbd95e6 don't use intrinsic names of keywors as function names 2018-06-21 22:34:32 +02:00
Martin Diehl b58489c1c2 merged all config related data into the config module 2018-06-19 23:53:14 +02:00
Martin Diehl 5302782dad need to search for cumulative tag 2018-06-19 23:42:15 +02:00
Martin Diehl 76fcf6b204 logic for default value was broken
only use default value if nothing else is found (do not append)
2018-06-19 22:59:52 +02:00
Martin Diehl d177afa9e1 unallocated array 2018-06-19 22:59:18 +02:00
Martin Diehl 9aa211605f having no output in crystallite caused trouble 2018-06-19 22:58:46 +02:00
Martin Diehl 2b5db71739 using consistent names 2018-06-19 19:25:29 +02:00
Martin Diehl efd2eae63e first step to get rid off getStringsRaw 2018-06-19 19:16:03 +02:00
Martin Diehl fc54104599 getStrings works for cumulative and non-cumulative 2018-06-19 18:38:32 +02:00
Martin Diehl 8d5d306076 getStrings has functionality for multiple entries in a row of cumulative
searches
2018-06-19 18:02:53 +02:00
Martin Diehl 3b676af215 always search for last occurrence 2018-06-19 18:02:53 +02:00
Martin Diehl 8739bada26 always search for last occurrence 2018-06-19 13:08:14 +02:00
Martin Diehl 674d2ea61a getting tests to run after seaborn update 2018-06-18 16:04:58 +02:00
Martin Diehl 3f30902ff1 Merge branch 'development' into 29_parsePhasePartOnce 2018-06-18 07:29:30 +02:00
Martin Diehl aadcd61824 polishing 2018-06-18 00:05:55 +02:00
Philip Eisenlohr d6d1439f52 more polishing, getStrings seems still somewhat murky... return lengths of strings are still inconsistent (64 and 65536) 2018-06-16 17:44:27 +02:00
Martin Diehl 32d481020f Merge branch 'development' into 30_parsePhasePartOnce 2018-06-16 14:49:57 +02:00
Martin Diehl 7e0e6ac51c GNU 5.3 does not work for linked list in 30_... branch 2018-06-16 12:54:16 +02:00
Philip Eisenlohr 0e4379f7ec straightened out logic and variable naming 2018-06-15 20:42:28 +02:00
Martin Diehl 999d0d774e first try of unifying getInts and getIntArray 2018-06-15 19:23:04 +02:00