HOTB: High precision parallel code for calculation of four-particle harmonic oscillator transformation brackets

Published: 01-01-2014| Version 1 | DOI: 10.17632/ztc3pmxk7m.1
A. Stepšys,
S. Mickevicius,
Darius Germanas,
R.K. Kalinauskas


This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018) Abstract This new version of the HOTB program for calculation of the three and four particle harmonic oscillator transformation brackets provides some enhancements and corrections to the earlier version (Germanas et al., 2010) [1]. In particular, new version allows calculations of harmonic oscillator transformation brackets be performed in parallel using MPI parallel communication standard. Moreover, higher precision of intermediate calculations using GNU Quadruple Precision and arbitrary precision li... Title of program: HOTB_MPI Catalogue Id: AEFQ_v4_0 Nature of problem Calculation of matrices of three-particle harmonic oscillator brackets (3HOB) and four-particle harmonic oscillator brackets (4HOB) in a more effective way, which allows us to calculate a matrix of the brackets up to a few hundred times more rapidly and more accurately than in a previous version. Versions of this program held in the CPC repository in Mendeley Data AEFQ_v1_0; HOTB; 10.1016/j.cpc.2009.10.012 AEFQ_v2_0; HOTB; 10.1016/j.cpc.2011.01.031 AEFQ_v3_0; HOTB_M; 10.1016/j.cpc.2012.09.021 AEFQ_v4_0; HOTB_MPI; 10.1016/j.cpc.2014.06.025