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LAMMPSLarge-Scale Atomic/Molecular Massively Parallel Simulator
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It is essential to create an input script containing the desired commands before running LAMMPS. The Verlet algorithm is applied to the integral of motion equation in the input scripts.
P., "Industrial property prediction using Towhee and LAMMPS," Fluid Phase Equilib., 217:105-110, 2004
Based on the data from Hirao and Kawamura [11], the interatomic potential parameters were optimized using Lammps program and shown in Table 1.
In this paper, we design a domain decomposition type of hybrid MD-continuum solver using open source software LAMMPS [24] and OpenFOAM [25] and investigate the coupling strategy issues of the HAC simulation using Couette channel flow as the model flow.
Simulations were carried out by molecular dynamics code LAMMPS [42] using the embedded-atom method (EAM) potential provided by Mishin et al.
The MD simulations in this study were carried out using Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) (25) on a Linux cluster having two six-core, hyper threading 3.33 GHz Xeon processors and 24 GB of memory.
In this study, the open source software LAMMPS (Large scale Atomic/Molecular Massively Parallel Simulator) [25] developed at Sandia National Laboratories, USA (, is used to conduct MD simulations.
LAMMPS [16] program, a classical molecular dynamics (MD) code, is used to perform the MD simulation of C-S-H.