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  • Automated Forcefield Optimization Extension 0.9.0
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  • Welcome to the Automated Forcefield Optimization Extensions’ documentation!
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Welcome to the Automated Forcefield Optimization Extensions’ documentation!¶

Contents:

  • Automated Forcefield Optimization Extension 0.9.0
    • Currently implemented
    • Using Auto-FOX
    • Installation
  • Auto-FOX Documentation
    • Radial & Angular Distribution Function
    • Root Mean Squared Displacement & Fluctuation
    • The MultiMolecule Class
    • Addaptive Rate Monte Carlo
    • Monte Carlo Parameters
    • Multi-XYZ reader
    • FOX.ff.lj_param
    • PSFContainer
    • PRMContainer
    • Properties
    • Recipes
Next

© Copyright 2021, B. F. van Beek Revision be121be4.

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