LAMMPS interface for CCS potential.

Teoroo-CMC / CCS

Curvature Constrained Splines

GNU General Public License v3.0

8 stars 11 forks source link

LAMMPS interface for CCS potential. #11

Closed aksam432 closed 1 year ago

aksam432 commented 1 year ago

I have added a new module for generating LAMMPS readable spline tables, along with few examples for using ASE/LAMMPS to run CCS and CCS+Q simulations.