Molecular dynamics simulation program of order N for condensed-matter systems II. MDSPNL: pyramid with neighbour list, short-range interactions

Abstract
A program of order N for molecular dynamics simulation is presented. The program enables one to simulate efficiently very large condensed-matter systems involving short-range interactions (e.g. simple liquids with pairwise-additive forces). The program is optimized for serial computers and on the Cyber 962-11 it attains a speed of more than 5000 particles/cpu s.

Title of program: MDSPNL
Catalogue Id: ABZC_v1_0

Nature of problem
Study of the thermodynamic, structural and dynamic properties of liquids or solids.

Versions of this program held in the CPC repository in Mendeley Data
ABZC_v1_0; MDSPNL; 10.1016/0010-4655(90)90050-B

This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)

摘要
本研究提出一款用于分子动力学模拟的N阶程序。该程序可高效模拟包含短程相互作用的超大型凝聚态体系，例如具备成对加和作用力的简单液体。本程序针对串行计算机进行了优化，在Cyber 962-11机型上可实现每秒处理超过5000个粒子的运算速度。

程序名称：MDSPNL
目录编号：ABZC_v1_0

问题属性
研究液体或固体的热力学、结构及动力学特性。

孟德雷数据（Mendeley Data）中CPC程序库收录的本程序版本：
ABZC_v1_0; MDSPNL; 10.1016/0010-4655(90)90050-B

本程序源自贝尔法斯特女王大学馆藏的CPC程序库（1969-2018年）