thangckt / car2lammpsdata

Convert car generated by Material Studio to lammps data file.

car2lammpsdata

Convert car generated by Material Studio to lammps data file.

Installation

pip install car2lammpsdata

Usage

Convert methane.car to methane.data:

car2lammpsdata -i methane.car -o methane.data -a C H O --atom-style=atomic

See help from

car2lammpsdata -h