atomate2.vasp.setsΒΆ

Module defining VASP input sets used in atomate2.

Modules

atomate2.vasp.sets.base

Module defining base VASP input set and generator.

atomate2.vasp.sets.core

Module defining core VASP input set generators.

atomate2.vasp.sets.defect

Module defining VASP input set generators for defect calculations.

atomate2.vasp.sets.eos

Module defining equation of state (EOS) parameter sets.

atomate2.vasp.sets.matpes

Module defining MatPES input set generators.

atomate2.vasp.sets.mp

Module defining Materials Project input set generators.