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bobleesj
/
cifkit
High-throughput .cif analysis made easy. Visit: https://bobleesj.github.io/cifkit/
https://bobleesj.github.io/cifkit/
MIT License
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Include "None" when when polyhedron cannot be formde
#21
bobleesj
opened
14 hours ago
0
Support various versions of .cif for symmetry operations
#20
bobleesj
opened
16 hours ago
0
Add pull request template
#19
bobleesj
opened
1 week ago
0
Automate release on PyPI
#18
bobleesj
opened
1 week ago
1
Fix polyhedron error, improve UX for CifEnsemble, fix histogram label
#17
bobleesj
closed
1 week ago
1
To discuss more about ill-formatted .cif files
#16
bobleesj
opened
1 week ago
0
Add option for CifEnsemble to preprocess
#15
bobleesj
closed
1 week ago
1
Do not move to others folder during preprocessing if elements do not belong to Mendeleev
#14
bobleesj
closed
1 week ago
1
Include print option for compute_connections
#13
bobleesj
closed
1 week ago
1
Add initializing progress statement for CifEnsemble for UX
#12
bobleesj
closed
1 week ago
1
Remove warning for using categorical units to plot a list of strings for histogram generation
#11
bobleesj
closed
1 week ago
3
Error computing polyhedron metrics: index 4 is out of bounds for axis 0 with size 4
#10
bobleesj
closed
1 week ago
4
Remove duplicate points for files with atomic mixing
#9
bobleesj
closed
1 week ago
1
Prepare JOSS manuscript
#8
bobleesj
opened
1 week ago
1
Draw polyhedron bug with atomic mixing
#7
bobleesj
closed
1 week ago
1
Test codecov
#6
bobleesj
closed
2 weeks ago
1
Prepare as a scientific repository
#5
bobleesj
opened
2 weeks ago
0
Generate official documentation with MkDocs
#4
bobleesj
opened
3 weeks ago
0
Generate an interactive Google Codelab documentation
#3
bobleesj
closed
2 weeks ago
1
Generate polyhedron figures
#2
bobleesj
closed
3 weeks ago
1
Include in README.md and repository
#1
bobleesj
opened
1 month ago
0