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Getting Started

  • Introduction to site-analysis
  • Installation
  • Quickstart Guide

Concepts

  • What is “Site Analysis”?
  • Sites
  • Site Collections
  • Atoms
  • Trajectories
  • Handling Periodic Boundary Conditions

Guides

  • Using the Builder Pattern
  • The Reference-Based Sites Workflow
  • Working with Spherical Sites
  • Working with Voronoi Sites
  • Working with Dynamic Voronoi Sites
  • Working with Polyhedral Sites
  • Working with Trajectories
  • Residence Time Analysis
  • Transition Tables

Tutorials

  • Tutorials

Resources

  • Publications using site-analysis
  • Changelog

API Reference

  • API documentation
site_analysis
  • Overview: module code

All modules for which code is available

  • site_analysis.atom
  • site_analysis.builders
  • site_analysis.dynamic_voronoi_site
  • site_analysis.dynamic_voronoi_site_collection
  • site_analysis.pbc_utils
  • site_analysis.polyhedral_site
  • site_analysis.polyhedral_site_collection
  • site_analysis.reference_workflow.coord_finder
  • site_analysis.reference_workflow.index_mapper
  • site_analysis.reference_workflow.reference_based_sites
  • site_analysis.reference_workflow.site_factory
  • site_analysis.reference_workflow.structure_aligner
  • site_analysis.site
  • site_analysis.site_collection
  • site_analysis.spherical_site
  • site_analysis.spherical_site_collection
  • site_analysis.tools
  • site_analysis.trajectory
  • site_analysis.transition_table
  • site_analysis.voronoi_site
  • site_analysis.voronoi_site_collection

© Copyright 2020, Benjamin J. Morgan.

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