✦ LIBER ✦

Molecular dynamics simulation using the cray-1 vector processing computer

✍ Scribed by David Fincham; B.J. Ralston

Publisher: Elsevier Science
Year: 1981
Tongue: English
Weight: 676 KB
Volume: 23
Category: Article
ISSN: 0010-4655
DOI: 10.1016/0010-4655(81)90027-8

No coin nor oath required. For personal study only.

✦ Synopsis

Algorithms are presented which enable molecular dynamics simulations of liquids to be performed most efficiently on the Cray-i vector processing computer. For 256 atoms interacting via the Lennard-Jones potential the CPU time per step of the simulation is 22 ms.

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