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shnitsel-tools 2026.01.1 documentation

Top-level functions
Dataset accessor methods
DataArray accessor methods
API Reference
Tutorials

Top-level functions
Dataset accessor methods
DataArray accessor methods
API Reference
Tutorials

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angles
algebra
helpers
shnitsel
pyramids
messages
positions
distances
dihedrals
molcas_opt
bla_chromophor
trajectory_setup
variable_flagging
generate_datasheet
convert_to_shnitsel
merge_shnitsel_files
trajectory_verification
trajectory_finalization

API Reference
shnitsel
shnitsel.vis
shnitsel.vis.support

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© Copyright 2026, Kevin Höllring, Theodor Everley Röhrkasten, Carolin Müller.

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