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HTPolyNet 1.0.9 documentation
HTPolyNet 1.0.9 documentation

Contents:

  • Installation and Prerequisites
  • User Guide
    • 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
      • Poly(4-methyl styrene)
        • Introduction
        • Monomer: 4-methylstyrene
        • 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
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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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