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LAMMPS: Difference between revisions
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= General = | = General = | ||
'''LAMMPS''' is a classical molecular dynamics code, and an acronym for '''L'''arge-scale '''A'''tomic / '''M'''olecular '''M'''assively '''P'''arallel '''S'''imulator. LAMMPS is distributed by [http://www.sandia.gov/ Sandia National Laboratories], a US Department of Energy laboratory | '''LAMMPS''' is a classical molecular dynamics code, and an acronym for '''L'''arge-scale '''A'''tomic / '''M'''olecular '''M'''assively '''P'''arallel '''S'''imulator. LAMMPS is distributed by [http://www.sandia.gov/ Sandia National Laboratories], a US Department of Energy laboratory. | ||
* '''Project web site:''' http://lammps.sandia.gov/ | * '''Project web site:''' http://lammps.sandia.gov/ | ||
* '''Documentation''': [http://lammps.sandia.gov/doc/Manual.html Online Manual]. | * '''Documentation''': [http://lammps.sandia.gov/doc/Manual.html Online Manual]. | ||
* '''Mailing List:''' http://lammps.sandia.gov/mail.html | * '''Mailing List:''' http://lammps.sandia.gov/mail.html | ||
LAMMPS is parallelized with [[MPI]] and [[OpenMP]], and can run on [[Using GPUs with Slurm|GPU]]s. | |||
= Force fields and examples = | = Force fields and examples = | ||
== Force fields classified by | == Force fields classified by material == | ||
* '''Biomolecules:''' CHARMM, AMBER, OPLS, COMPASS (class 2), long-range Coulombics via PPPM, point dipoles, ... | * '''Biomolecules:''' CHARMM, AMBER, OPLS, COMPASS (class 2), long-range Coulombics via PPPM, point dipoles, ... | ||
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* '''Hybrid:''' can use combinations of potentials for hybrid systems: water on metal, polymers/semiconductor interface, colloids in solution, … | * '''Hybrid:''' can use combinations of potentials for hybrid systems: water on metal, polymers/semiconductor interface, colloids in solution, … | ||
== Potential classified by | == Potential classified by functional form == | ||
* '''Pairwise potentials:''' Lennard-Jones, Buckingham, ... | * '''Pairwise potentials:''' Lennard-Jones, Buckingham, ... | ||