atomate2.vasp.jobs.coreΒΆ

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.

NonSCFMaker

Maker to create non self consistent field VASP jobs.

PolarizationMaker

Maker to create polarization calculation VASP jobs.

RelaxConstVolMaker

Maker to create VASP constant volume relaxation jobs.

RelaxMaker

Maker to create VASP relaxation jobs.

StaticMaker

Maker to create VASP static jobs.

TYPE_CHECKING

bool(x) -> bool

TightConstVolRelaxMaker

Maker to create tight VASP relaxation jobs.

TightRelaxConstVolMaker

Maker to create tight constant volume VASP relaxation jobs.

TightRelaxMaker

Maker to create tight VASP relaxation jobs.

TransmuterMaker

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