MAterials Simulation Toolkit
Project description
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
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MAST-1.3.3.tar.gz
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