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bug
bug
Something isn't working
censo
censo
Related to the command-line energetic sorting of conformer rotamer ensembles
crest
crest
Related to the conformer–rotamer ensemble sampling tool
duplicate
duplicate
This issue or pull request already exists
enhancement
enhancement
New feature or request
enso
enso
Related to the energetic sorting of conformer rotamer ensembles
external
external
External dependents on software documented here
good first issue
good first issue
Good for newcomers
help wanted
help wanted
Extra attention is needed
invalid
invalid
This doesn't seem right
qcxms
qcxms
Related to the mass spectrometry program package
question
question
Further information is requested
stda
stda
Related to the stda program for computing excited states and response functions
wontfix
wontfix
This will not be worked on
xtb
xtb
Related to the extended tight binding program package