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

Changru Ma, Layla Martin-Samos, Stefano Fabris, Alessandro Laio, Simone Piccinin. QMMMW: A wrapper for QM/MM simulations with Quantum ESPRESSO and LAMMPS. Computer Physics Communications, 195:191-198, 2015. [doi]

Abstract

Abstract is missing.