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