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AiiDA LAMMPS

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  • Get started
  • 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

API Reference

API Reference#

This page contains auto-generated API reference documentation [1].

  • aiida_lammps
    • aiida_lammps.parsers
      • aiida_lammps.parsers.parse_raw
        • aiida_lammps.parsers.parse_raw.trajectory
        • aiida_lammps.parsers.parse_raw.lammps_output
        • aiida_lammps.parsers.parse_raw.final_data
      • aiida_lammps.parsers.inputfile
      • aiida_lammps.parsers.utils
      • aiida_lammps.parsers.base
      • aiida_lammps.parsers.raw
    • aiida_lammps.calculations
      • aiida_lammps.calculations.base
      • aiida_lammps.calculations.raw
    • aiida_lammps.workflows
      • aiida_lammps.workflows.molecular_dynamics
      • aiida_lammps.workflows.base
      • aiida_lammps.workflows.relax
    • aiida_lammps.validation
      • aiida_lammps.validation.schemas
      • aiida_lammps.validation.utils
    • aiida_lammps.data
      • aiida_lammps.data.trajectory
      • aiida_lammps.data.potential
    • aiida_lammps.utils
[1]

Created with sphinx-autodoc2

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