LAVA 1.0: A general-purpose python toolkit for calculation of material properties with LAMMPS and VASP

Khanh Dang, Jie Chen, Brian Rodgers, Saryu Fensin. LAVA 1.0: A general-purpose python toolkit for calculation of material properties with LAMMPS and VASP. Computer Physics Communications, 286:108667, May 2023. [doi]

Abstract

Abstract is missing.