HOTB update: Parallel code for calculation of three- and four-particle harmonic oscillator transformation brackets and their matrices using OpenMP

Germanas, Darius; Stepšys, Augustinas; Mickevičius, Saulius; Kalinauskas, Ramutis Kazys

Use this url to cite publication: https://hdl.handle.net/20.500.12259/54724

HOTB update: Parallel code for calculation of three- and four-particle harmonic oscillator transformation brackets and their matrices using OpenMP

Type of publication

Straipsnis Clarivate Analytics Web of Science / Article in Clarivate Analytics Web of Science (S1)

Author(s)

Germanas, Darius	Fizinių ir technologijos mokslų centro Fizikos institutas
Stepšys, Augustinas	Vilniaus universitetas
Mickevičius, Saulius	Fizikos katedra / Department of Physics
Kalinauskas, Ramutis Kazys	Fizinių ir technologijos mokslų centro Fizikos institutas

Title

HOTB update: Parallel code for calculation of three- and four-particle harmonic oscillator transformation brackets and their matrices using OpenMP

Publisher

Amsterdam, Netherlands : Elsevier B.V

Publisher (trusted)

Elsevier Science

Date Issued

2017

Extent

p. 259–264

Is part of

Computer physics communications. Amsterdam, Netherlands : Elsevier B.V., 2017, Vol. 215

Field of Science

Fizika / Physics (N002)

Keywords

Abstract

This is a new version of the HOTB code designed to calculate three and four particle harmonic oscillator (HO) transformation brackets and their matrices. The new version uses the OpenMP parallel communication standard for calculations of harmonic oscillator transformation brackets. A package of Fortran code is presented. Calculation time of large matrices, orthogonality conditions and array of coefficients can be significantly reduced using effective parallel code. Other functionalities of the original code (for example calculation of single harmonic oscillator brackets) have not been modified.