Open-Source Development Experiences in Scientific Software: The HANDE Quantum Monte Carlo Project

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Title: Open-Source Development Experiences in Scientific Software: The HANDE Quantum Monte Carlo Project
Authors: Spencer, JS
Blunt, NS
Vigor, WA
Malone, FD
Foulkes, WMC
Shepherd, JJ
Thom, AJW
Item Type: Journal Article
Abstract: The HANDE quantum Monte Carlo project offers accessible stochastic algorithms for general use for scientists in the field of quantum chemistry. HANDE is an ambitious and general high-performance code developed by a geographically-dispersed team with a variety of backgrounds in computational science. In the course of preparing a public, open-source release, we have taken this opportunity to step back and look at what we have done and what we hope to do in the future. We pay particular attention to development processes, the approach taken to train students joining the project, and how a flat hierarchical structure aids communication
Issue Date: 17-Nov-2015
Date of Acceptance: 17-Nov-2015
URI: http://hdl.handle.net/10044/1/18115
DOI: http://dx.doi.org/10.5334/jors.bw
ISSN: 2049-9647
Publisher: Ubiquity Press
Journal / Book Title: Journal of Open Research Software
Volume: 3
Issue: 1
Copyright Statement: © 2015 The Author(s). This is an open-access article distributed under the terms of the Creative Commons Attribution 3.0 Unported License (CC-BY 3.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited. See http://creativecommons.org/licenses/by/3.0/.
Sponsor/Funder: Engineering & Physical Science Research Council (EPSRC)
EPSRC
CSCS Swiss National Supercomputing Centre
Imperial College London
Funder's Grant Number: EP/K038141/1
EPSRC RAP Call November 2014
Shepherd_2015_I
Keywords: cs.SE
software development
student training
Publication Status: Published
Article Number: e9
Appears in Collections:Condensed Matter Theory
Physics
Chemistry
Faculty of Natural Sciences



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