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kbkit 1.0.28 documentation
kbkit 1.0.28 documentation

API Reference:

  • API
    • Pipeline
  • File Parsers
    • GROMACS Energy (.edr) Parser
    • GROMACS Structure (.gro) Parser
    • GROMACS Topology (.top) Parser
    • Radial Distribution Function (RDF) Parser
  • KBI
    • Kirkwood-Buff Integrator
    • KBI Calculator
    • Kirkwood-Buff Thermodynamics and Structure Factors
  • Schema
    • System Metadata
    • Property Result
    • Activity Metadata
  • Systems
    • System Properties
    • System Collection
  • Visualization
    • Timeseries Plotter
    • KBI Analysis Plotter
    • Thermo Plotter
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KBIΒΆ

The kbkit.kbi module contains the following submodules:

  • Kirkwood-Buff Integrator
  • KBI Calculator
  • Kirkwood-Buff Thermodynamics and Structure Factors
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Kirkwood-Buff Integrator
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Radial Distribution Function (RDF) Parser
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