molssi-seamm/lammps_step: Improved handling of atomic position and velocity trajectories.

Zenodo (CERN European Organization for Nuclear Research) 2026 Open access

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Authors: Paul W. Saxe, seamm, Eliseo Marin‐Rimoldi, Doaa Altarawy, pyup.io bot
DOI: 10.5281/zenodo.18190751
Cited by: 0

Abstract

Added the time and units for the time to the atomic position and velocity trajectories used in e.g. diffusivity to ensure the correct times are used.

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
9 January 2026