Code interoperability and standard data formats in quantum chemistry and quantum dynamics: The Q5/D5Cost data model

Elda Rossi, Stefano Evangelisti, Antonio Laganà, Antonio Monari, Sergio Rampino, Marco Verdicchio, Kim Baldridge, Gian Luigi Bendazzoli, Stefano Borini, Renzo Cimiraglia, Celestino Angeli, Peter Kallay, Hans Peter Lüthi, Kenneth Ruud, José Sánchez-Marin, Anthony Scemama, Péter Szalay, Attila Tajti. Code interoperability and standard data formats in quantum chemistry and quantum dynamics: The Q5/D5Cost data model. Journal of Computational Chemistry, 35(8):611-621, 2014. [doi]

Abstract

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