The paper
T. Pinomaa, J. Aho, J. Suviranta, P. Jreidini, N. Provatas and A. Laukkanen, “OpenPFC: an open-source framework for high performance 3D phase field crystal simulations”, Modelling and Simulation in Materials Science and Engineering, 2024. doi:10.1088/1361-651X/ad269e
The title names the original application family. The framework now covers other structured-grid PDE problems as well; the bibliographic title is unchanged.
@article{pinomaa2024openpfc,
title = {OpenPFC: an open-source framework for high performance 3D phase field crystal simulations},
author = {Pinomaa, Tatu and Aho, Jukka and Suviranta, Jaarli and Jreidini, Paul and Provatas, Nikolaos and Laukkanen, Anssi},
journal = {Modelling and Simulation in Materials Science and Engineering},
year = {2024},
doi = {10.1088/1361-651X/ad269e}
}The software
Every release is archived on Zenodo. The concept DOI 10.5281/zenodo.10799935 resolves to the latest version; cite the version DOI of the release you ran when a result depends on it. The repository’s CITATION.cff carries the same metadata, and GitHub offers it under “Cite this repository”.
Make a run reproducible
Record the OpenPFC release tag or commit together with the HeFFTe and MPI versions and the compiler. The website and documentation follow the default branch, so a published result should name the version it used rather than a page that may change.