atomate2.vasp.jobs.core#

Core jobs for running VASP calculations.

Classes

DielectricMaker

Maker to create dielectric calculation VASP jobs.

HSEBSMaker

Maker to create HSE06 band structure jobs.

HSERelaxMaker

Maker to create HSE06 relaxation jobs.

HSEStaticMaker

Maker to create HSE06 static jobs.

HSETightRelaxMaker

Maker to create tight VASP relaxation jobs.

MDMaker

Maker to create VASP molecular dynamics jobs.

NonSCFMaker

Maker to create non self consistent field VASP jobs.

RelaxMaker

Maker to create VASP relaxation jobs.

StaticMaker

Maker to create VASP static jobs.

TYPE_CHECKING

bool(x) -> bool

TightRelaxMaker

Maker to create tight VASP relaxation jobs.

TransmuterMaker

A maker to apply transformations to a structure before writing the input sets.