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"QMMMW: A wrapper for QM/MM simulations with Quantum ESPRESSO and LAMMPS."

Changru Ma et al. (2015)

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DOI: 10.1016/J.CPC.2015.04.024

access: closed

type: Journal Article

metadata version: 2022-06-23

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  - journals/cphysics/MaMFLP15
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  - https://dblp.org/rec/journals/cphysics/MaMFLP15
Changru Ma, Layla Martin-Samos, Stefano Fabris, Alessandro Laio, Simone Piccinin:
QMMMW: A wrapper for QM/MM simulations with Quantum ESPRESSO and LAMMPS. Comput. Phys. Commun. 195: 191-198 (2015)

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