David C. Lonie, Eva Zurek. Identifying duplicate crystal structures: XtalComp, an open-source solution. Computer Physics Communications, 183(3):690-697, 2012. [doi]
@article{LonieZ12,
title = {Identifying duplicate crystal structures: XtalComp, an open-source solution},
author = {David C. Lonie and Eva Zurek},
year = {2012},
doi = {10.1016/j.cpc.2011.11.007},
url = {http://dx.doi.org/10.1016/j.cpc.2011.11.007},
researchr = {https://researchr.org/publication/LonieZ12},
cites = {0},
citedby = {0},
journal = {Computer Physics Communications},
volume = {183},
number = {3},
pages = {690-697},
}