d-SEAMS d-SEAMS d-SEAMS
  • C++ API
    • d-SEAMS engine libyodaLib and the seams CLI
    • pydseams Python Frame API on yoda
    • dseams (Lua) require("dseams") and Fennel
    • linkcell Periodic linked-cell k-nearest neighbours
/

Getting Started

  • Quickstart

Tutorials

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

How-to

  • How-to
  • Install the engine
  • Build the language fronts
  • Version pins
  • Benchmarks
  • OpenMP target offload
  • Classify a dump
  • Sheared cells
  • Ionic-liquid dumps
  • ASE integration
  • View a classified frame
  • Confined ice
  • FAQ
  • Troubleshooting

Explanation

  • Explanation
    • Repositories
    • CHILL+ versus cages
    • Ring-adjacent completion
    • Topological network criteria
    • Citation
  • Repositories
  • CHILL+ versus cages
  • Ring-adjacent completion
  • Topological network criteria
  • Citation

Reference

  • Reference
  • seams CLI
  • Data Formats
  • walk_compare
  • Nix flake
  • One task, four fronts
  • API map
  • API Reference
  • Glossary
  • Changelog

d-SEAMS 2.0 paper

  • d-SEAMS 2.0 paper
  • Versions
  • Benchmarks
  • Reproduce

Development

  • Contributing
  • Lean proofs
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  1. d-SEAMS /
  2. Explanation
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ExplanationΒΆ

These pages are for understanding. They are not recipes.

page

question

Three repositories

Why the engine, Python, and Lua are three packages

CHILL+ versus cages

Why the two scores disagree

Ring-adjacent completion

ringAdjacentCompletion and the seeded flag

Topological network criteria

The formulae the classifiers use

Citation

What to cite

  • Repositories
  • CHILL+ versus cages
  • Ring-adjacent completion
  • Topological network criteria
  • Citation
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