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
          • Submodules
            • alframework.builders.builders module
            • alframework.builders.moltensalt_builder module
            • alframework.builders.reactive_builder module
        • alframework.ml_interfaces package
        • alframework.parsl_resource_configs package
        • alframework.qm_interfaces package
        • alframework.samplers package
        • alframework.tools package
  • License
ALF
  • alframework
  • alframework package
  • alframework.builders package
  • View page source
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alframework.builders package

Submodules

  • alframework.builders.builders module
    • TiAl_builder_task()
    • atomic_system_builder()
    • atomic_system_task()
    • condensed_phase_builder()
    • construct_simulation_box()
    • create_atomic_system()
    • readMolFiles()
    • simple_cfg_loader_task()
    • simple_condensed_phase_builder_task()
    • simple_multi_condensed_phase_builder_task()
    • to_mic()
  • alframework.builders.moltensalt_builder module
    • atomic_system_builder()
    • construct_simulation_box()
    • create_atomic_system()
    • test_atomic_system()
    • test_distances()
    • to_mic()
  • alframework.builders.reactive_builder module
    • load_reactive_task()
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