Object-oriented scripting interface to a legacy electronic structure code

Sune Rastad Bahn; Karsten Wedel Jacobsen

doi:10.1109/5992.998641

Object-oriented scripting interface to a legacy electronic structure code

Sune Rastad Bahn, Karsten Wedel Jacobsen

Department of Physics

Research output: Contribution to journal › Journal article › Research › peer-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 language	English
Journal	Computing in Science & Engineering
Volume	4
Issue number	3
Pages (from-to)	56-66
ISSN	1521-9615
DOIs	https://doi.org/10.1109/5992.998641
Publication status	Published - 2002

Access to Document

10.1109/5992.998641

OpenUrl availability

Full text

Cite this

@article{df9512467a774a7eb394fefc3ab246de,

title = "Object-oriented scripting interface to a legacy electronic structure code",

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.",

author = "Bahn, {Sune Rastad} and Jacobsen, {Karsten Wedel}",

year = "2002",

doi = "10.1109/5992.998641",

language = "English",

volume = "4",

pages = "56--66",

journal = "Computing in Science & Engineering",

issn = "1521-9615",

publisher = "IEEE",

number = "3",

}

TY - JOUR

T1 - Object-oriented scripting interface to a legacy electronic structure code

AU - Bahn, Sune Rastad

AU - Jacobsen, Karsten Wedel

PY - 2002

Y1 - 2002

N2 - 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.

AB - 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.

U2 - 10.1109/5992.998641

DO - 10.1109/5992.998641

M3 - Journal article

SN - 1521-9615

VL - 4

SP - 56

EP - 66

JO - Computing in Science & Engineering

JF - Computing in Science & Engineering

IS - 3

ER -

Object-oriented scripting interface to a legacy electronic structure code

Abstract

Access to Document

OpenUrl availability

Fingerprint

Cite this