#

molecule-file

Here is 1 public repository matching this topic...

simongravelle / atb2lammps

Convert files from the ATB repository to LAMMPS format

python converter simulation input molecule lammps atb lammps-data lammps-input lammps-script molecule-file

Updated Jul 7, 2025
Python

Improve this page

Add a description, image, and links to the molecule-file topic page so that developers can more easily learn about it.

Curate this topic

Add this topic to your repo

To associate your repository with the molecule-file topic, visit your repo's landing page and select "manage topics."