GDPy (gdpx)

Introduction:

  • About
  • Installation

Basic Guides:

  • Getting Started
  • Potentials
  • Trainers
  • Computations
  • Builders
  • Selections
  • Expeditions
  • Tutorials

Advanced Guides:

  • Sessions
  • Workflows
    • List of Workflows
      • Compute+Select
      • Run Massive NEB Calculations
      • Explore with GA
      • Train
      • Validate
      • Add Correction to Computed Structures

Developer Guides:

  • Extensions

Gallery:

  • Applications
GDPy (gdpx)
  • Workflows
  • View page source

Workflows

This section includes several oft-used sessions (workflows).

List of Workflows

  • Compute+Select
    • Sesscion Configuration
  • Run Massive NEB Calculations
    • Node Definitions
    • Session Configuration
  • Explore with GA
    • Session Confiugration
  • Train
    • Session Configuration
  • Validate
  • Add Correction to Computed Structures
    • Example Configuration
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