vasp_neb_job¶
- atomate2.vasp.jobs.neb.vasp_neb_job(method)[source]¶
Decorate the
makemethod of VASP NEB job makers.This is a thin wrapper around
Jobthat configures common settings for VASP NEB jobs. For example, it ensures that large data objects (band structures, density of states, LOCPOT, CHGCAR, etc) are all stored in the atomate2 data store. It also configures the output schema to be a VASPNebTaskDoc.- Parameters:
method (callable) – A BaseVaspMaker.make method. This should not be specified directly and is implied by the decorator.
- Returns:
A decorated version of the make function that will generate VASP NEB jobs.
- Return type:
callable