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Etomica : An object‐oriented framework for molecular simulation
Author(s) -
Schultz Andrew J.,
Kofke David A.
Publication year - 2015
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.23823
Subject(s) - computer science , object oriented programming , programming language , software framework , interface (matter) , object oriented design , object (grammar) , code (set theory) , software , software development , component based software engineering , software engineering , parallel computing , artificial intelligence , set (abstract data type) , bubble , maximum bubble pressure method
We describe the design of an object‐oriented library of software components that are suitable for constructing simulations of systems of interacting particles. The emphasis of the discussion is on the general design of the components and how they interact, and less on details of the programming interface or its implementation. Example code is provided as an aid to understanding object‐oriented programming structures and to demonstrate how the framework is applied. © 2015 Wiley Periodicals, Inc.