An object oriented Python interface for atomistic simulations

T. Hynninen, L. Himanen, V. Parkkinen, T. Musso, J. Corander, A. S. Foster

Research output: Contribution to journalArticleScientificpeer-review

Original languageEnglish
JournalComputer Physics Communications
Volume198
Pages (from-to)230-237
Number of pages8
ISSN0010-4655
DOIs
Publication statusPublished - Jan 2016
MoE publication typeA1 Journal article-refereed

Fields of Science

  • Atomistic simulations
  • Classical potential
  • Object oriented
  • Python
  • Fortran
  • ENERGY
  • 114 Physical sciences
  • 111 Mathematics

Cite this

Hynninen, T. ; Himanen, L. ; Parkkinen, V. ; Musso, T. ; Corander, J. ; Foster, A. S. / An object oriented Python interface for atomistic simulations. In: Computer Physics Communications. 2016 ; Vol. 198. pp. 230-237.
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author = "T. Hynninen and L. Himanen and V. Parkkinen and T. Musso and J. Corander and Foster, {A. S.}",
year = "2016",
month = "1",
doi = "10.1016/j.cpc.2015.09.010",
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journal = "Computer Physics Communications",
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An object oriented Python interface for atomistic simulations. / Hynninen, T.; Himanen, L.; Parkkinen, V.; Musso, T.; Corander, J.; Foster, A. S.

In: Computer Physics Communications, Vol. 198, 01.2016, p. 230-237.

Research output: Contribution to journalArticleScientificpeer-review

TY - JOUR

T1 - An object oriented Python interface for atomistic simulations

AU - Hynninen, T.

AU - Himanen, L.

AU - Parkkinen, V.

AU - Musso, T.

AU - Corander, J.

AU - Foster, A. S.

PY - 2016/1

Y1 - 2016/1

KW - Atomistic simulations

KW - Classical potential

KW - Object oriented

KW - Python

KW - Fortran

KW - ENERGY

KW - 114 Physical sciences

KW - 111 Mathematics

U2 - 10.1016/j.cpc.2015.09.010

DO - 10.1016/j.cpc.2015.09.010

M3 - Article

VL - 198

SP - 230

EP - 237

JO - Computer Physics Communications

JF - Computer Physics Communications

SN - 0010-4655

ER -