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User Documentation

  • Getting Started
    • Why OctaDist?
    • Features
      • Structural distortion analysis
      • Molecular visualizations
      • Tools and Utilities
      • Capabilities
      • Architectures
    • Distortion parameters
    • System requirements
  • Download OctaDist
    • Stable Version
    • Development Version
    • Release Archives
  • Install OctaDist
    • Windows
    • Linux
    • macOS
    • PyPI
    • Anaconda
    • Python Package
  • Build OctaDist
    • Prerequisites
    • Build the tarball, wheel, and egg
    • Compile OctaDist to EXE
  • Run OctaDist
    • Run OctaDist GUI using EXE
    • Run OctaDist GUI on the terminal
    • Run OctaDist CLI
  • Example Calculations
    • Supported File Format
    • Running the tests
      • Example 1
      • Example 2
      • Example 3
      • Example 4
      • Example 5
      • Example 6
  • Benchmarks
    • 1. Perfect octahedral complex
    • 2. [Fe(1-bpp)2][BF4]2 complex in low-spin state
    • 3. [Fe(1-bpp)2][BF4]2 complex in high-spin state
    • 4. Very distorted structure
  • Error and Fixing
    • 1. OctaDist Startup Slow on Windows?
    • 2. Missing some packages
    • 3. MPL error
    • 4. Cannot connect to X11 server
  • Modules
    • Program structure
    • Application Program Interface (API)
    • Source code
      • octadist.main
      • octadist.gui
      • octadist.cli
      • octadist.calc
      • octadist.draw
      • octadist.elements
      • octadist.io
      • octadist.linear
      • octadist.plane
      • octadist.plot
      • octadist.popup
      • octadist.projection
      • octadist.scripting
      • octadist.structure
      • octadist.tools
      • octadist.util
  • Development
    • Contribution
    • OctaDist Testing
    • Bug report
    • Code maintenance
  • Authors
  • License
OctaDist
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Download OctaDistΒΆ

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© Copyright 2019, Rangsiman Ketkaew et al. Revision ed9f44cf.

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