atomate2.vasp.sets

Module defining VASP input sets used in atomate2.

Modules

approx_neb

Module defining ApproxNEB input set generators.

base

Module defining base VASP input set and generator.

core

Module defining core VASP input set generators.

defect

Module defining VASP input set generators for defect calculations.

eos

Module defining equation of state (EOS) parameter sets.

mpmorph

Sets for the MPMorph amorphous workflows.