How to Analyse Atomic Density and Atomic Charge Density using OVITO

OVITO
1

Hello

I did a simulation of a solid-liquid reaction using the Reaxff reaction potential in lammps, and I would like to analyse the atomic density and atomic charge density from the products, how do I do this, or can I add the appropriate code output in lammps, or can I use ovito to do the analysis, thank you very much!

2

For post-processing with OVITO, I would like to recommend having a look at the following resources:
https://www.ovito.org/docs/current/reference/pipelines/modifiers/bin_and_reduce.html
https://www.ovito.org/docs/current/reference/pipelines/data_objects/voxel_grid.html#scene-objects-voxel-grid
https://www.ovito.org/docs/current/reference/pipelines/modifiers/create_isosurface.html#create-isosurface

1 Like
3

Thank you for your help