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AiiDA LAMMPS

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  • Tutorials
    • Minimization in LAMMPS
    • Molecular dynamics in LAMMPS
    • Raw LAMMPS calculation

Topic guides

  • Data
    • Parameters
    • LammpsPotentialData
    • LammpsTrajectory
  • Calculations
    • LammpsBaseCalculation
    • LammpsRawCalculation
  • Workflows
    • LammpsBaseWorkChain
    • LammpsRelaxWorkChain
    • LammpsMDWorkChain

Development information

  • Developer Guide

Reference

  • API Reference
    • aiida_lammps
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  • .rst

aiida_lammps.workflows

Contents

  • Submodules

aiida_lammps.workflows#

Set of workflows to handle calculations using aiida-lammps

Submodules#

  • aiida_lammps.workflows.molecular_dynamics
  • aiida_lammps.workflows.base
  • aiida_lammps.workflows.relax

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