atomate.vasp.builders package

Submodules

atomate.vasp.builders.bandgap_estimation module

atomate.vasp.builders.base module

class atomate.vasp.builders.base.AbstractBuilder

Bases: object

Abstract builder class. Defines the contract and must be subclassed by all builders.

classmethod from_file(filename)

Set the builder from a config file, e.g., a db file

reset()

Unset the building.

run()

Run the builder.

atomate.vasp.builders.boltztrap_materials module

atomate.vasp.builders.dielectric module

atomate.vasp.builders.file_materials module

atomate.vasp.builders.fix_tasks module

atomate.vasp.builders.materials_descriptor module

atomate.vasp.builders.materials_ehull module

atomate.vasp.builders.tags module

atomate.vasp.builders.tasks_materials module

atomate.vasp.builders.utils module

This class contains common functions for builders

atomate.vasp.builders.utils.dbid_to_int(dbid)
atomate.vasp.builders.utils.dbid_to_str(prefix, dbid)

Module contents