Large-scale atomic/molecular LAMMPS

The GBEMP model requires some additional infrastructure beyond that found in standard molecular dynamics codes. For example, because the CG particles are elliptical, they have a net orientation that must be tracked and integrated during the simulation this is most easily done using a rigid-body integrator. For this reason, we chose LAMMPS (Large-scale Atomic/Molecular... [Pg.505]

Large-scale atomic/ molecular massively parallel simulator (LAMMPS) code 0.788 for armchair 1.176 for zigzag Effects of chirality and Van der Waals interaction on Young s modulus, elastic compressive modulus, bending, tensile, compressive stiffness, and critical axial force of DWCNTs... [Pg.245]

LAMMPS—Large-scale Atomic/Molecular Massively Parallel Simulator, Sandia National... [Pg.492]

Big Chemical Encyclopedia