Las Palmeras Molecular Dynamics: A flexible and modular molecular dynamics code

This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018) Abstract Las Palmeras Molecular Dynamics (LPMD) is a highly modular and extensible molecular dynamics (MD) code using interatomic potential functions. LPMD is able to perform equilibrium MD simulations of bulk crystalline solids, amorphous solids and liquids, as well as non-equilibrium MD (NEMD) simulations such as shock wave propagation, projectile impacts, cluster collisions, shearing, deformation under load, heat conduction, heterogeneous melting, among others, which involve unusual MD features lik... Title of program: LPMD Catalogue Id: AEHG_v1_0 Nature of problem Study of Statistical Mechanics and Thermodynamics of condensed matter systems, as well as kinetics of non-equilibrium processes in the same systems. Versions of this program held in the CPC repository in Mendeley Data AEHG_v1_0; LPMD; 10.1016/j.cpc.2010.08.030本程序源自贝尔法斯特女王大学（Queen's University Belfast）馆藏的CPC程序库（1969-2018年）。 拉斯帕尔马斯分子动力学程序（Abstract Las Palmeras Molecular Dynamics，简称LPMD）是一款高度模块化且可扩展的分子动力学（Molecular Dynamics, MD）代码，基于原子间势函数实现计算。LPMD可开展块体晶体固体、非晶固体与液态体系的平衡态MD模拟，同时支持非平衡态分子动力学（Non-Equilibrium Molecular Dynamics, NEMD）模拟，涵盖冲击波传播、弹体撞击、团簇碰撞、剪切、荷载下变形、热传导、非均匀熔化等多种场景，涉及诸多非常规MD模拟特性…… 程序名称：LPMD 目录编号：AEHG_v1_0 研究范畴：研究凝聚态体系的统计力学与热力学性质，以及此类体系中非平衡过程的动力学行为。 Mendeley数据平台的CPC程序库中留存的本程序版本：AEHG_v1_0；LPMD；10.1016/j.cpc.2010.08.030