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BCTC Supplements
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AK Krewald
BCTC Supplements
Graph
6e122cf6e899316b0d9a7c5439530e7f8e24a27d
Select Git revision
Branches
2
main
default
protected
tmp
2 results
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Begin with the selected commit
Created with Raphaël 2.2.0
28
Nov
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23
Oct
22
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8
17
Sep
Hotfix
main
main
Wrap up week 7
Updated gitignore
More on cube files
Small changes and blacked
Draft on week 7 with mo viewer and stuff
More finishes to week 6
Finish week 6
Added methanol structure for rotation
Added xyz files for reform gas reaction
Intro on week 6
Simplified
Last update on week 5
Put necessary modules in directory
Large part of week 5 notebook done
Minor changes
Minor updates
Cleanups in the viewer code
Working animation with mode vectors
Added animation option
Add Trajectory constructor from orca output file
Fixed an off-by-one error
Added a working trajectory viewer on the first try!
Added creation script for week 2
Added orca to path on the jupyterhub
Finalized week 4
Small changes
Added picture and removed small question
Change to ORCA for week 2
Updated gitignore
Finalized week1
Working version with a simple molecule viewer
Rests
Rests
tmp
tmp
Added tables and text
Start molecule viewer functionality
Update gitignore
First draft on week 4
Update gitignore
Merge branch 'week2' into 'main'
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