8. Howto discussions

These doc pages describe how to perform various tasks with LAMMPS, both for users and developers. The glossary website page also lists MD terminology with links to corresponding LAMMPS manual pages. The example input scripts included in the examples directory of the LAMMPS distribution and highlighted on the Examples doc page also show how to setup and run various kinds of simulations.

8.1. Tutorials howto

• 8.1.1. LAMMPS GitHub tutorial
• 8.1.2. PyLammps Tutorial
• 8.1.3. Using LAMMPS with Bash on Windows

8.2. General howto

• 8.2.1. Restart a simulation
• 8.2.2. Visualize LAMMPS snapshots
• 8.2.3. Run multiple simulations from one input script
• 8.2.4. Multi-replica simulations
• 8.2.5. Library interface to LAMMPS
• 8.2.6. Coupling LAMMPS to other codes
• 8.2.7. Using LAMMPS in client/server mode

8.3. Settings howto

• 8.3.1. 2d simulations
• 8.3.2. Triclinic (non-orthogonal) simulation boxes
• 8.3.3. Thermostats
• 8.3.4. Barostats
• 8.3.5. Walls
• 8.3.6. NEMD simulations
• 8.3.7. Long-range dispersion settings

8.4. Analysis howto

• 8.4.1. Output from LAMMPS (thermo, dumps, computes, fixes, variables)
• 8.4.2. Use chunks to calculate system properties
• 8.4.3. Calculate temperature
• 8.4.4. Calculate elastic constants
• 8.4.5. Calculate thermal conductivity
• 8.4.6. Calculate viscosity
• 8.4.7. Calculate diffusion coefficients

8.5. Force fields howto

• 8.5.1. CHARMM, AMBER, COMPASS, and DREIDING force fields
• 8.5.2. TIP3P water model
• 8.5.3. TIP4P water model
• 8.5.4. SPC water model

8.6. Packages howto

• 8.6.1. Finite-size spherical and aspherical particles
• 8.6.2. Granular models
• 8.6.3. Body particles
• 8.6.4. Polarizable models
• 8.6.5. Adiabatic core/shell model
• 8.6.6. Drude induced dipoles
• 8.6.7. Tutorial for Thermalized Drude oscillators in LAMMPS
• 8.6.8. Manifolds (surfaces)
• 8.6.9. Magnetic spins