Object-oriented scripting interface to a legacy electronic structure code

Sune Rastad Bahn, Karsten Wedel Jacobsen

Research output: Contribution to journalJournal articleResearchpeer-review

1433 Downloads (Orbit)

Abstract

The authors have created an object-oriented scripting interface to a mature density functional theory code. The interface gives users a high-level, flexible handle on the code without rewriting the underlying number-crunching code. The authors also discuss design issues and the advantages of homogeneous interfaces.
Original languageEnglish
JournalComputing in Science & Engineering
Volume4
Issue number3
Pages (from-to)56-66
ISSN1521-9615
DOIs
Publication statusPublished - 2002

Fingerprint

Dive into the research topics of 'Object-oriented scripting interface to a legacy electronic structure code'. Together they form a unique fingerprint.

Cite this