Contents Menu Expand Light mode Dark mode Auto light/dark, in light mode Auto light/dark, in dark mode Skip to content
htpolynet 2.0.0 documentation
htpolynet 2.0.0 documentation

Contents:

  • Installation and Prerequisites
  • Release History
  • User Guide
    • Usage
    • Container Usage
    • Molecular Structure Inputs
    • Configuration Files
      • Configuration Files for htpolynet run
      • Configuration Files for htpolynet postsim
      • Configuration Files for htpolynet analyze
    • Program Flow
  • Example Tutorials
    • Examples Using htpolynet run
      • Polystyrene
        • Introduction
        • Monomer: Styrene
        • Reactions
        • The Configuration File
        • Running the Build
        • Results
      • DGEBA-PACM Thermoset
        • Introduction
        • Monomers
        • Reactions
        • The Configuration File
        • Running the Build
        • Results
      • BisGMA-Styrene Thermoset
        • Introduction
        • Reactions
        • The Configuration File
        • Running the Build
        • Results
    • Examples Using htpolynet postsim and analyze
  • References
  • htpolynet package
Back to top
View this page

User GuideΒΆ

Contents:

  • Usage
    • Typical Usage
    • The htpolynet Directory Structure
    • htpolynet Subcommand Summaries
  • Container Usage
    • Desktop Users (Docker)
    • HPC Users (Singularity/Apptainer)
  • Molecular Structure Inputs
  • Configuration Files
    • Configuration Files for htpolynet run
    • Configuration Files for htpolynet postsim
    • Configuration Files for htpolynet analyze
  • Program Flow
    • The Connect-Update-Relax-Equilibrate (CURE) algorithm
    • Identifying allowable bonds: Bondsearch filters
Next
Usage
Previous
Release History
Copyright © 2024, Cameron Abrams, Ming Huang
Made with Sphinx and @pradyunsg's Furo