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2.3. Run LAMMPS from Python

After compiling the LAMMPS shared library and making it ready to use, you can now write and run Python scripts that import the LAMMPS Python module and launch LAMMPS simulations through Python scripts. The following pages take you through the various steps necessary, what functionality is available and give some examples how to use it.

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• 2.3.1. Running LAMMPS and Python in serial
• 2.3.2. Running LAMMPS and Python in parallel with MPI
• 2.3.3. Running Python scripts

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• 2.3.4. Creating or deleting a LAMMPS object
• 2.3.5. Executing commands
• 2.3.6. System properties
• 2.3.7. Per-atom properties
• 2.3.8. Compute, fixes, variables
• 2.3.9. Scatter/gather operations
• 2.3.10. Neighbor list access
• 2.3.11. Configuration information