DL_POLY_2.0: A general-purpose parallel molecular dynamics simulation package
- 1 June 1996
- journal article
- Published by Elsevier in Journal of Molecular Graphics
- Vol. 14 (3), 136-141
- https://doi.org/10.1016/s0263-7855(96)00043-4
Abstract
No abstract availableKeywords
This publication has 23 references indexed in Scilit:
- Computer simulation of sodium disilicate glassThe Journal of Chemical Physics, 1995
- On Multiple Time-step Algorithms and the Ewald SumMolecular Simulation, 1994
- Parallel macromolecular simulations and the replicated data strategy: II. The RD-SHAKE algorithmComputer Physics Communications, 1994
- Parallel macromolecular simulations and the replicated data strategy: I. The computation of atomic forcesComputer Physics Communications, 1994
- The Ewald Sum in Truncated Octahedral and Rhombic Dodecahedral Boundary ConditionsMolecular Simulation, 1993
- Molecular dynamics on hypercube parallel computersComputer Physics Communications, 1991
- Potentials for Molecular Dynamics Simulation of Silicate GlassesMolecular Simulation, 1990
- Long-range Finnis–Sinclair potentialsPhilosophical Magazine Letters, 1990
- CCP5: a collaborative computational project for the computer simulation of condensed phasesJournal of Molecular Graphics, 1987
- Molecular dynamics with coupling to an external bathThe Journal of Chemical Physics, 1984