Topic: reaxff Goto Github
Some thing interesting about reaxff
Some thing interesting about reaxff
reaxff,The "29 Sep 2021 - Update 3" repo was cloned and the reaxFF-CHON-2019 potential has been incorporated in this repo, since the force field is not available in LAMMPS and its implementation required some changes to the energy and force descriptions.
User: chaithanyak4796
reaxff,RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based on MATLAB language, including formatting the reactive force field parameters, statistic anasysis of structures, trajectories and mechanisms and output of the visualization files.
User: dadaoqiuzhi
reaxff,LAMMPS tutorials for both beginners and advanced users
Organization: lammpstutorials
Home Page: https://lammpstutorials.github.io/
reaxff,Jupyter notebooks used for retraining the ReaxFF force field for the inorganic compound LiF.
User: paolodeangelis
reaxff,Database used for retraining the ReaxFF force field for the inorganic compound LiF.
User: paolodeangelis
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