DFTB+ : Release 18.1

Hourahine, Benjamin and Aradi, Bálint (2018) DFTB+ : Release 18.1. GitHub, San Francisco, CA.. (https://doi.org/10.5281/zenodo.1186900)

Archive. Filename: dftbplus_18.1.zip Final Published Version License: Download (1MB)

Abstract

Release 18.1 contains several new features and improvements. Most notably the code has been MPI-parallelised, enabling you to now also model large systems efficiently with DFTB+ on massively parallel systems and compute clusters. We hope you will continue to find DFTB+ useful for your scientific research. As always we are looking forward to your feedback, suggestions and contributions.

ORCID iDs

Hourahine, Benjamin ORCID: https://orcid.org/0000-0002-7667-7101

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• Item metadata

  Item type:	Other
  ID code:	63975
  Dates:	Date Event 1 March 2018 Published
  Notes:	Version 18.1.
  Subjects:	Science > Physics Science > Mathematics > Computer software
  Department:	Faculty of Science > Physics
  Depositing user:	Pure Administrator
  Date deposited:	09 May 2018 13:45
  Last modified:	11 Nov 2024 16:09
  URI:	https://strathprints.strath.ac.uk/id/eprint/63975