Martin Diehl
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3b392281e4
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consistent naming in HDF5 output
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2021-03-25 19:22:59 +01:00 |
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Martin Diehl
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72c099dbbe
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store data separetly
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2021-02-13 15:06:27 +01:00 |
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Martin Diehl
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228398e787
|
config follows structure
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2020-12-31 09:10:59 +01:00 |
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Martin Diehl
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1ac5465d65
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using central functionality
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2020-12-28 11:03:29 +01:00 |
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Martin Diehl
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c712332e87
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using consistent names for Bravais lattice in Fortran and Python
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2020-11-28 22:38:12 +01:00 |
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Sharan Roongta
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2157bf50cd
|
mech --> mechanics
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2020-11-17 22:21:35 +01:00 |
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Martin Diehl
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cd7ada0da9
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use Fortran internals for error handling
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2020-11-11 20:09:14 +01:00 |
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Martin Diehl
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8e89452791
|
not needed
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2020-11-11 13:59:37 +01:00 |
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Sharan Roongta
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7b761476e4
|
under mech dictionary
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2020-11-03 00:48:16 +01:00 |
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Sharan Roongta
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40d28456af
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Merge branch 'development' into variableName=ParameterName
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2020-09-24 13:13:19 +02:00 |
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Sharan Roongta
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c72240323e
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applied to lattice variables
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2020-09-23 01:50:13 +02:00 |
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Martin Diehl
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41fbc58c1b
|
standard conforming name
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2020-09-22 13:09:12 +02:00 |
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Martin Diehl
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63f9078f04
|
don' hardcode output unit
replaced remaining write(6,..), flush(6) with write(OUTPUT_UNIT,...),
flush(OUTPUT_UNIT)
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2020-09-22 12:15:36 +02:00 |
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Martin Diehl
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797073b015
|
print choses output unit automatically, no need to rely on 6
also shorter...
|
2020-09-17 19:28:41 +02:00 |
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Martin Diehl
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316c5f7d20
|
internal errors (do not depend on user input)
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2020-09-13 12:20:44 +02:00 |
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Martin Diehl
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5b83c8ad3c
|
use 'error stop'
- does not require IO
- prints stack trace
|
2020-09-13 12:09:32 +02:00 |
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Martin Diehl
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b499578a95
|
prefix should be name of the module
poor substitute for namespace
|
2020-09-13 10:39:17 +02:00 |
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Sharan Roongta
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7754a1ea56
|
Restructuring for material.yaml
|
2020-08-15 16:08:46 +02:00 |
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Martin Diehl
|
ae20ab8d42
|
more reasonable name
|
2020-05-16 17:05:03 +02:00 |
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Martin Diehl
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1ccd3aab89
|
suppress warnings
the compiler does not know that IO_error terminates the program
|
2020-05-15 22:33:38 +02:00 |
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Martin Diehl
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5a4a7393b9
|
statements belong together
|
2020-04-28 19:17:34 +02:00 |
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Martin Diehl
|
b6596a0310
|
compiler can do the counting
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2020-03-29 19:17:24 +02:00 |
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Martin Diehl
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e1bd49a12b
|
constants/parameters in capitals
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2020-03-17 08:17:14 +01:00 |
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Martin Diehl
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fecd1586b0
|
using notation from paper
|
2020-03-16 23:31:43 +01:00 |
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Martin Diehl
|
7b3b4ffb1c
|
following python style
|
2020-03-16 11:14:27 +01:00 |
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Martin Diehl
|
33aaa94865
|
use centralized (and tested) funtionality
|
2020-03-14 17:29:08 +01:00 |
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Martin Diehl
|
8bd708f3b1
|
correct type
|
2020-03-14 13:53:21 +01:00 |
|
Martin Diehl
|
5c4ddf5138
|
Merge branch 'development' into MiscImprovements
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2020-03-14 12:52:30 +01:00 |
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Martin Diehl
|
07ecf60722
|
more explicit and flexible
|
2020-03-13 14:03:04 +01:00 |
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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 |
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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
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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 |
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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 |