Tutorials

A tutorial is a learning path. You finish it with a skill, not a lookup table. The one good tutorial on this site classifies the in-tree mixed TIP4P dump two ways.

tutorial	you learn
Classify ice on the mixed TIP4P example	seams read, CHILL+, cages, and why the scores disagree
Ice and clathrate labels	CHILL+ and cage signatures from Python
Primitive rings	Franzblau census on one frame
Bond-orientational order	q_l and the Lechner-Dellago average
Confined water	in-plane RDF, sheet rings, prisms
Quasi-one-dimensional ice	where the nanotube and monolayer examples live
Paper figures	the in-tree numbers behind the 2020 figures

How-tos solve a goal you already have. Reference names flags and headers. Explanation is why the two classifiers exist.

The Python files under docs/tutorials are the runs. CI executes them. The pages here say what you are doing and what number you should see.

• Classify ice on the mixed TIP4P example
• Ice and clathrate labels
• Primitive rings
• Bond-orientational order parameters
• Confined water
• Quasi-one-dimensional ice
• Paper figures