Optimization and parallelization of a force field for silicon using OpenMP ☆
收藏NIAID Data Ecosystem2026-03-11 收录
下载链接：
https://elsevier.digitalcommonsdata.com/datasets/dhhdckptwr
下载链接
链接失效反馈官方服务：
资源简介：
Abstract
The force field by Lenosky and coworkers is the latest force field for silicon which is one of the most studied materials. It has turned out to be highly accurate in a large range of test cases. The optimization and parallelization of this force field using OpenMp and Fortran90 is described here. The optimized program allows us to handle a very large number of silicon atoms in large scale simulations. Since all the parallelization is hidden in a single subroutine that returns the total energi...
Title of program: siliconiap
Catalogue Id: ADQI_v1_0
Nature of problem
Condensed matter physics.
Versions of this program held in the CPC repository in Mendeley Data
ADQI_v1_0; siliconiap; 10.1016/S0010-4655(02)00466-6
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
创建时间：
2019-11-11
