Copyright © 2004 Jeongnim Kim
Abstract
ohmms has been developed to provide object-oriented high-performance solutions for multi-scale materials simulations. The core components of ohmms are based on PETE and other numerical and parallel libraries. The most common applications of ohmms are atomistic simulations of crystalline and molecular systems using various model Hamiltonians to describe the interactions of constituent particles. We discuss the design and implementation of the key components of ohmms core libraries and applications.