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For Users (v2022.XX):

  • WESTPA Command Line Interface
  • WESTPA Core
  • WESTPA Work Manager
  • WESTPA Tools
  • WESTPA Other Components
  • WESTPA Extensions
  • WESTPA Analysis
  • HDF5 file structure

For Developers:

  • Overview
  • Code and documentation style guide
  • Source code management
  • Building the documentation
  • WESTPA Modules API
  • WESTPA Tools

For Legacy Users (v2020.XX):

  • WEST
    • Setup
    • Running
    • Analysis
  • WEST tools
  • WEST work manager
  • WEST extensions
  • Command line tool index
  • HDF5 file schema
  • Checklist
  • FAQs
WESTPA
  • WEST
  • Edit on GitHub

WEST

  • Setup
    • Defining and Calculating Progress Coordinates
    • Binning
    • Initial/Basis States
    • Target States
    • Propagators
    • Configuration File
    • Environmental Variables
    • Plugins
    • Weighted Ensemble Algorithm (Resampling)
  • Running
    • Overview
    • Setting simulation limits
    • Running a simulation
    • Managing data
    • Recovering from errors
  • Analysis
    • Gauging simulation progress and convergence
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© Copyright 2021, Matthew C. Zwier and Lillian T. Chong. Revision a27bee59.

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