LAMMPS for beginners - Sandia National Laboratories
LAMMPS for beginners - Sandia National Laboratories
LAMMPS for beginners - Sandia National Laboratories
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<strong>LAMMPS</strong> development areasTimescale & spatial scale Force fields FeaturesFaster MDAuto generationIn<strong>for</strong>matics traj analysisOn a single processorFF parameter data baseNPT <strong>for</strong> non-orthogonal boxesIn parallel, or with load balancingBiological & organicsUser-requested featuresnovel architectures, or N/P < 1Solid materialsAccelerated MDElectrons & plasmasTemperature accelerated dynamicsChemical reactionsParallel replica dynamicsReaxFFForward flux samplingBond making/swapping/breakingMultiscale simulationFunctional <strong>for</strong>msCouple to quantumCharge equilibrationCouple to fluid solversLong-range dipole-dipole interactionsCouple to KMCAllow user-defined FF <strong>for</strong>mulasCoarse grainingAspherical particlesAggregationRigidificationPeridynamics
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