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htpolynet 2.1.0 documentation
htpolynet 2.1.0 documentation

Contents:

  • Installation and Prerequisites
  • Changelog
  • 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
    • Liquid Styrene (no polymerization)
      • Introduction
      • The Styrene Monomer
      • Configuration
      • Running the Build
      • Results
      • Post-build simulations and analyses
    • Polystyrene
      • Introduction
      • Monomer: Styrene
      • Reactions
      • The Configuration File
      • Running the Build
      • Results
      • Post-build simulations and analyses
    • BisGMA-Styrene Thermoset
      • Introduction
      • Reactions
      • The Configuration File
      • Running the Build
      • Results
      • Post-build simulations and analyses
    • DGEBA-PACM Epoxy Thermoset
      • Introduction
      • Monomers
      • Reactions
      • The Configuration File
      • Running the Build
      • Results
      • Post-build simulations and analyses
    • DFA-FDE Furan-Based Epoxy Thermoset
      • Introduction
      • Monomers
      • Reactions
      • The Configuration File
      • Running the Build
      • Results
      • Post-build simulations and analyses
  • References
  • htpolynet package
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Configuration FilesΒΆ

YAML-format configuration files are used by several htpolynet subcommands, including run, postsim, and analyze. Each of these subcommands expects some keyword:value pairs to appear in the configuration file.

By type:

  • Configuration Files for htpolynet run
    • All the details
    • A Simple Configuration Example: Polymerizing styrene
  • Configuration Files for htpolynet postsim
  • Configuration Files for htpolynet analyze
    • Simple examples
    • Shortcut analyses
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Configuration Files for htpolynet run
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Molecular Structure Inputs
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