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PQAnalysis
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PQAnalysis

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  • Getting Started
  • Learn the Python API
  • Example data
  • From trajectory to figure
  • Analyses
    • Radial Distribution Function
      • RDF: Theory and Validity
    • Mean Square Displacement
      • MSD: Theory and Validity
    • VACF and Spectra
      • VACF: Theory and Validity
    • Vibrational Analysis
      • Vibrations: Theory and Validity
    • Total Linear Momentum
  • Python Functions
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  • Files and Formats
    • Analysis input files
    • Atom selections
    • Analysis Output Files
    • Native format
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    • XVG and xmgrace
    • Additional outputs
    • Converting existing output
    • RDF
    • MSD
    • VACF and charge-flux correlation
    • Broadened spectrum
    • Total linear momentum
    • Vibrational analysis
  • Package Reference
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    • Scientific Validation
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topology.bonded_topology¶

A subpackage for the bonded topology of an atomic system.

Submodules¶

  • angle
  • bond
  • bonded_topology
  • dihedral
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