Open-Source Development Experiences in Scientific Software: The HANDE Quantum Monte Carlo Project
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Published version
Author(s)
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
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
Date Issued
2015-11-17
Date Acceptance
2015-11-17
Citation
Journal of Open Research Software, 2015, 3 (1)
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/.
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/.
License URL
Sponsor
Engineering & Physical Science Research Council (EPSRC)
EPSRC
CSCS Swiss National Supercomputing Centre
Imperial College London
Identifier
http://dx.doi.org/10.5334/jors.bw
Grant Number
EP/K038141/1
EPSRC RAP Call November 2014
Shepherd_2015_I
Subjects
software development
student training
Publication Status
Published
Article Number
e9