Confined iceΒΆ

Classify ice in a nanotube or a monolayer.

The engine functions are ring::prismAnalysis (one-dimensional prisms) and ring::polygonRingAnalysis (two-dimensional sheets). Those names live on API. The seams CLI does not expose them.

Use a scripting front end:

  • Lua examples under example_lua/iceNanotube/ in yodaStruct

  • Frame.find_prisms and Frame.find_polygons in pydseams

External dumps (figshare project 73545): Quasi-1D_Nanotube_LAMMPS_Trajectory and Monolayer_LAMMPS_Trajectory. This repository does not ship those files and does not pin prism counts.

For the in-tree mixed TIP4P dump, start with the mixed TIP4P tutorial.