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Python library #36

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nedtaylor
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nedttaylor and others added 30 commits April 24, 2025 13:43
@nedttaylor @nedtaylor
Handle single-atom cell
ee32b47
@nedttaylor @nedtaylor
Remove test printing
680dee1
@nedttaylor @nedtaylor
Fix unallocated shift array
4f69199
@nedtaylor
Fix natom check
fb7d7aa
@nedtaylor
Add termination fail tag
7f6bbd8
@nedtaylor
Fix typo
532fda1
@nedtaylor
Fix miller plane printing
8922da9
@nedtaylor
Fix out of bounds
2e94a53
@nedtaylor
Reduce array temporary warnings
f794a0a
@nedtaylor
Improve error printing
5d066d9
@nedtaylor
Fix separation size
5de486f
@nedtaylor
Increase separation search height
6cc09b4
@nedtaylor
Update error printing
44bd18b
@nedtaylor
Fix symmetry
f631030
@nedtaylor
Add slab thickness input parameter
98da313
@nedtaylor
Remove commented code
3a5e4f2
@nedtaylor
Handle terminations
4d6507f
@nedtaylor
Improve formatting
f0d6f12
@nedtaylor
Improve help
8b8310d
@nedtaylor
Update ignore list
3be7378
@nedtaylor
Update filepaths
cab5f1f
@nedtaylor
Add new build methods
7512fb3
@nedtaylor
Remove files
3f22c92
@nedtaylor
Update types
032ffcd
@nedtaylor
Move file
45e8f26
@nedtaylor
Update makefile
49ac704
@nedtaylor
Add termination generator type
1ad2999
@nedtaylor
Update interface generator type
ccd911b
@nedtaylor
Fix type conversion errors
1275164
@nedtaylor
Add terminations module
5935b14
nedtaylor added 30 commits May 1, 2025 14:52
@nedtaylor
Update installation guides
edcbb4f
@nedtaylor
Make python install executable
38d9e8d
@nedtaylor
Fix file overwriting
2f0cfa8
@nedtaylor
Handle stoichiometric breaking terminations
f9b612f
@nedtaylor
Remove dev comments
4a215be
@nedtaylor
Improve documentation
31cf4f7
@nedtaylor
Add details regarding optional parameters
8f92f23
@nedtaylor
Link to RAFFLE
b58fd6b
@nedtaylor
Improve referencing
25c59ae
@nedtaylor
Fix git references
ce31076
@nedtaylor
Fix git references
c168320
@nedtaylor
Fix indentation issues and git reference
a9e69ee
@nedtaylor
Fix install guide
2c42fdf
@nedtaylor
Improve branch reference
abd9a0f
@nedtaylor
Improve branch reference
b6ef1a5
@nedtaylor
Fix formatting
3a83aae
@nedtaylor
Fix references to RAFFLE
26b839e
@nedtaylor
Fix verbosity printing
f177ef0
@nedtaylor
Fix mirror and add new test
b0d2e8d
@nedtaylor
Fix slab thickness handling
503e5a8
@nedtaylor
Improve printing
b3e61cd
@nedtaylor
Fix generator members
98c180b
@nedtaylor
Fix kernel crashing
0490b67
@nedtaylor
Reduce compilation warnings
265b69e
@nedtaylor
Rename restart procedure
3f96fce
@nedtaylor
Improve structure list handling
cc1479a
@nedtaylor
Set up elastic tensor handling
04bcbba
@nedtaylor
Fix shifting
9b564f6
@nedtaylor
Fix memory error
1910e49
@nedtaylor
Improve argument documentation
503d9a6
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@nedtaylor @nedttaylor