MAST 1.2.9.4

MAterials Simulation Toolkit

The MAterials Simulation Toolkit (MAST) is an automated workflow manager and post-processing tool.

MAST is primarily designed to perform automated atomic simulation calculations for diffusion and defect workflows, especially using density functional theory as implemented by the Vienna Ab-initio Simulation Package (VASP).

MAST interfaces easily with several resource managers, including PBS/Torque, SLURM, and Sun Grid Engine.

For old versions, use https://pypi.python.org/pypi/MAST/<version number> for example, https://pypi.python.org/pypi/MAST/1.1.3