Martin Diehl
|
b80b406ad5
|
more specific name
'interface' can be an interface to anything, 'CLI' is an established
abbreviation for 'command line interface'
|
2022-04-23 16:09:31 +02:00 |
|
Martin Diehl
|
0e65d44bdc
|
separating functionality
signal handling and CLI handling are not really related
|
2022-04-23 14:46:26 +02:00 |
|
Martin Diehl
|
2a59251b1d
|
deprecated reporting
crystallite does not exist anymore, information was discretization
related
|
2022-02-06 22:23:21 +01:00 |
|
Martin Diehl
|
39aa243695
|
Polynomial Class
|
2022-01-31 14:05:15 +00:00 |
|
Philip Eisenlohr
|
da9fdf53d2
|
consistent indentation and line-spacings in reporting
|
2021-11-15 12:35:44 -05:00 |
|
Martin Diehl
|
f20302e0ee
|
early initialization of results
need to be done before config if config writes to it
|
2021-07-27 07:27:18 +02:00 |
|
Martin Diehl
|
58bc6e2ba6
|
avoid chained inclusions
|
2021-07-08 14:27:04 +02:00 |
|
Martin Diehl
|
f0a75d8d62
|
consistent capitalization
Capitals for pre processor macros to avoid clashes
|
2021-07-04 17:43:19 +02:00 |
|
Vitesh
|
d54e49e3bc
|
restore functionality to write non-parallel
not needed at the moment, but in general useful. If PETSc = parallel
should always hold, we can simplify much more
|
2021-02-22 13:37:21 +01:00 |
|
Martin Diehl
|
e855083964
|
systematic names
|
2021-02-11 14:19:04 +01:00 |
|
Martin Diehl
|
74a7be1607
|
[skip sc] more systematic naming
module name 'damagee' gets extra e for the moment to avoid conflict with
global variable 'damage'
|
2021-01-26 21:47:55 +01:00 |
|
Martin Diehl
|
9ce932a082
|
distributing tasks
|
2020-12-30 09:24:47 +01:00 |
|
Martin Diehl
|
6a6256dd34
|
separate functionality
|
2020-12-29 23:11:04 +01:00 |
|
Martin Diehl
|
e8ea815d92
|
simplified
|
2020-12-27 11:48:02 +01:00 |
|
Martin Diehl
|
82eb532193
|
separating functionality
|
2020-12-23 06:58:54 +01:00 |
|
Martin Diehl
|
831e0ce1b9
|
sorting responsibilities
|
2020-12-22 09:22:55 +01:00 |
|
Martin Diehl
|
93b9677ec8
|
not needed anymore
|
2020-12-20 11:24:29 +01:00 |
|
Martin Diehl
|
9425184b52
|
using new functions
|
2020-12-20 09:31:02 +01:00 |
|
Martin Diehl
|
d7889aff12
|
extra function not (yet) needed
|
2020-12-16 09:13:13 +01:00 |
|
Martin Diehl
|
f8e3cfe91d
|
not needed (was stored as restart data)
|
2020-12-15 19:41:47 +01:00 |
|
Martin Diehl
|
d7f035235c
|
do initialization later
|
2020-12-15 14:01:39 +01:00 |
|
Sharan Roongta
|
45b906906d
|
test before reading config files
|
2020-09-29 20:07:33 +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
|
22544d6978
|
systematic naming
|
2020-09-13 12:43:49 +02:00 |
|
Martin Diehl
|
da0e16520c
|
handling of MPI in 'parallelization'
|
2020-09-13 10:26:33 +02:00 |
|
Martin Diehl
|
a46b888cff
|
WIP: introducing separate module for parallelization
|
2020-09-12 16:07:49 +02:00 |
|
Martin Diehl
|
a931625be0
|
functionality to decode base64 strings into bytes
|
2020-09-06 17:44:02 +02:00 |
|
Sharan Roongta
|
7754a1ea56
|
Restructuring for material.yaml
|
2020-08-15 16:08:46 +02:00 |
|
Sharan Roongta
|
72fdb639f0
|
YAML parser
|
2020-05-21 20:41:40 +02:00 |
|
f.basile
|
a38aca9351
|
Merge branch 'misc-improvements' into development
|
2020-05-16 12:59:44 +02:00 |
|
Martin Diehl
|
0f2447d413
|
restart does not overwrite existing results
|
2020-05-06 21:48:55 +02:00 |
|
Martin Diehl
|
20b604a334
|
finalize does not work for gfortran
|
2020-04-28 11:22:09 +02:00 |
|
Martin Diehl
|
d99c05860e
|
FEM is now Mesh
|
2020-04-28 10:35:43 +02:00 |
|
Sharan Roongta
|
c4bcd3b430
|
Functions needed to store and read yaml data
|
2020-04-22 14:59:23 +02:00 |
|
Martin Diehl
|
48c9d31720
|
matching names
|
2020-03-20 15:08:07 +01:00 |
|
Martin Diehl
|
b569e9cd6e
|
clearer name
|
2020-03-20 14:55:10 +01:00 |
|
Martin Diehl
|
7aa47d8f5a
|
module name follows filename
|
2020-03-20 07:18:11 +01:00 |
|
Martin Diehl
|
82dee9db0e
|
matching names
|
2020-02-25 17:53:15 +01:00 |
|
Martin Diehl
|
7d7eff0d94
|
crystallite should be responsible of crystallite variables
|
2020-02-25 09:42:07 +01:00 |
|
Martin Diehl
|
f546ffb3be
|
polishing
|
2020-01-26 21:22:55 +01:00 |
|
Martin Diehl
|
8f43f05437
|
stronger encapsulation
|
2020-01-10 01:45:00 +01:00 |
|
Martin Diehl
|
e1168c09b9
|
use specialized functions
|
2020-01-02 21:28:34 +01:00 |
|
Martin Diehl
|
f0d3b29b82
|
Merge branch 'development' into MiscImprovements
|
2019-12-21 06:53:56 +01:00 |
|
Martin Diehl
|
63fc125398
|
include origin do DADF5
requires updat of file version
|
2019-12-13 09:12:07 +01:00 |
|
Martin Diehl
|
9e801928b0
|
Merge branch 'development' into noPostResults
|
2019-12-11 09:28:45 +01:00 |
|
Martin Diehl
|
9b67ead62f
|
removed postResults completely
|
2019-12-11 00:10:02 +01:00 |
|
Martin Diehl
|
c2e91ae5e1
|
copy and paste error, wrong array was set
|
2019-12-08 20:52:05 +01:00 |
|
Martin Diehl
|
23944de6de
|
less variables for better readability
|
2019-12-07 15:20:04 +01:00 |