ALF

Getting Started

  • What Is ALF
  • Installation
  • Quickstart

User Guide

  • Configuration
  • Builders
  • Samplers
  • ML Interfaces
  • QM Interfaces

Examples

  • Simple Water Example
  • Molten Salt Example
  • Reactive Sampling Example

API Documentation

  • alframework
    • alframework package
      • Subpackages
        • alframework.builders package
        • alframework.ml_interfaces package
        • alframework.parsl_resource_configs package
        • alframework.qm_interfaces package
        • alframework.samplers package
          • Submodules
            • alframework.samplers.ASE_ensemble_constructor module
            • alframework.samplers.ml_driven_md_sampling module
            • alframework.samplers.mlmd_sampling module
            • alframework.samplers.reactive_sampler module
        • alframework.tools package
  • License
ALF
  • alframework
  • alframework package
  • alframework.samplers package
  • View page source
Previous Next

alframework.samplers package

Submodules

  • alframework.samplers.ASE_ensemble_constructor module
    • MLMD_calculator
      • MLMD_calculator.calculate()
    • Well_Potential
      • Well_Potential.calculate()
  • alframework.samplers.ml_driven_md_sampling module
    • moldyn_sampler()
  • alframework.samplers.mlmd_sampling module
    • mlmd_sampling()
  • alframework.samplers.reactive_sampler module
    • dimer_sampler()
    • neb_sampler()
Previous Next

© Copyright 2023, ALF Team.

Built with Sphinx using a theme provided by Read the Docs.