ASE
  • About
  • Installation
  • Getting started
  • Tutorials
  • Modules
    • The Atoms object
    • The Cell object
    • Units
    • File input and output
    • Building things
    • Equation of state
    • Chemical formula type
    • Chemical symbols
    • Collections
    • The data module
    • Structure optimization
    • Molecular dynamics
    • Constraints
    • Filters
    • Using the spacegroup subpackage
    • Building neighbor-lists
    • Geometry tools
    • A database for atoms
    • Minimum energy path
      • Nudged elastic band
      • Dimer method
    • Genetic Algorithm
    • ASE’s GUI
    • Bravais lattices
    • General crystal structures and surfaces
    • Nanoparticles and clusters
    • Visualization
    • Calculators
    • Density Functional Theory
    • Vibration analysis
    • Phonon calculations
    • Phase diagrams and Pourbaix diagrams
    • Spectrum tools
    • Thermochemistry
    • Utillity functions and classes
    • Parallel calculations
    • The Atom object
    • Electron transport
    • QMMM
  • Command line tool
  • Tips and tricks
  • Gallery
  • Release notes
  • Contact
  • ASE ecosystem
  • Development
  • Frequently Asked Questions
  • ASE Workshop 2019
ASE
index | modules | gitlab | page source

Minimum energy path¶

  • Nudged elastic band
    • The NEB class
      • NEB
    • Interpolation
      • interpolate()
      • idpp_interpolate()
    • Trajectories
    • Restarting
    • Climbing image
    • Scaled and dynamic optimizations
      • DyNEB
    • Parallelization over images
    • Using Shared Calculators
    • Analysis of output
      • NEBTools
        • NEBTools.get_barrier()
        • NEBTools.get_fit()
        • NEBTools.get_fmax()
        • NEBTools.plot_band()
        • NEBTools.plot_bands()
    • AutoNEB
      • AutoNEB
  • Dimer method
    • DimerControl
    • MinModeAtoms
    • MinModeTranslate
    • DimerEigenmodeSearch
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