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Best practices for nonadiabatic molecular dynamics simulations

GitHub repository for the living article 'Best practices for nonadiabatic molecular dynamics simulations'.

A. Prlj, J. T. Taylor, J. Janoš, E. Lognon, D. Hollas, P. Slavíček, F. Agostini, B. F. E. Curchod, Best practices for nonadiabatic molecular dynamics simulations [Article v1.0], Living J. Comp. Mol. Sci., 7, 4157 (2026). https://doi.org/10.33011/livecoms.7.1.4157

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Best practices Guide on nonadiabatic molecular dynamics

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