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royallgroup
/
TCC
The Topological Cluster Classification algorithm
https://royallgroup.github.io/TCC/
GNU General Public License v3.0
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8K duplication
#88
merrygoat
opened
6 years ago
1
Integration tests do not have HCP
#87
merrygoat
opened
6 years ago
0
9B refactor
#86
merrygoat
closed
6 years ago
0
Write cluster xyz function does not close file handles
#85
merrygoat
closed
6 years ago
0
Implement usage tracking
#84
merrygoat
closed
6 years ago
1
Setup a GitHub pages for the TCC
#83
merrygoat
closed
6 years ago
1
11C refactor
#82
merrygoat
closed
6 years ago
0
13B refactor
#81
merrygoat
closed
6 years ago
0
9A refactor
#80
merrygoat
closed
6 years ago
0
Structure definition for unit tests
#79
merrygoat
closed
6 years ago
6
8a refactor
#78
merrygoat
closed
6 years ago
0
Integration tests
#77
merrygoat
closed
6 years ago
0
Doxygen documentation for clusters
#76
merrygoat
closed
6 years ago
0
Proposed removal of BCC detection
#75
merrygoat
closed
6 years ago
1
6a isomers
#74
merrygoat
closed
6 years ago
0
8k refactor
#73
merrygoat
closed
6 years ago
0
Improve integration tests
#72
merrygoat
closed
6 years ago
1
Decide on license for TCC
#71
tranqui
closed
6 years ago
2
Refactor 8b
#70
merrygoat
closed
6 years ago
0
Refactor 7k
#69
merrygoat
closed
6 years ago
0
Move memory allocation in preparation for openmp
#68
merrygoat
closed
6 years ago
2
Remove centers magic numbers
#67
merrygoat
closed
6 years ago
2
Unit tests
#66
tranqui
closed
6 years ago
0
Additional file format: DynamO config.*.xml.bz2
#65
ursacavebear
closed
6 years ago
13
Add null characters to lists at the beginning of main
#64
merrygoat
closed
6 years ago
1
Implementing 7z
#63
merrygoat
closed
6 years ago
0
Implementing 7z
#62
merrygoat
closed
6 years ago
1
Extra clusters
#61
merrygoat
closed
6 years ago
0
Unit tests require tcc executable in path
#60
tranqui
closed
6 years ago
3
Build should include install option
#59
tranqui
closed
6 years ago
6
Static cluster file annoying
#58
tranqui
closed
6 years ago
3
Static cluster file broken
#57
tranqui
closed
6 years ago
2
Implement 7T clusters
#56
merrygoat
closed
6 years ago
3
Implement structure compositions in python for unit tests
#55
tranqui
closed
6 years ago
2
6Z refactor
#54
merrygoat
closed
6 years ago
0
Custom cluster selection
#53
merrygoat
closed
6 years ago
0
tcc test fails with no build folder
#52
merrygoat
closed
6 years ago
1
Refactor main
#51
merrygoat
closed
6 years ago
0
Compilation fails on Mac OS
#50
FTurci
closed
6 years ago
6
Need sample geometries for all TCC structures for unit testing
#49
tranqui
closed
6 years ago
2
Documentation for python xyz reader
#48
tranqui
closed
6 years ago
1
Distinguish between isomers of 6A
#47
tranqui
closed
6 years ago
4
Net cluster script input variables
#46
merrygoat
closed
6 years ago
1
Net tcc script
#45
merrygoat
closed
6 years ago
0
Python API to TCC
#44
tranqui
closed
6 years ago
5
Unit tests for detection of individual structures
#43
tranqui
closed
6 years ago
2
Refactor clusters
#42
merrygoat
closed
6 years ago
0
11a performance
#41
merrygoat
closed
6 years ago
0
Clusters can be detected over PBCs in small boxes
#40
merrygoat
opened
6 years ago
2
Simple bond cell list
#39
merrygoat
closed
6 years ago
0
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