NebFromImagesMaker

class atomate2.vasp.jobs.neb.NebFromImagesMaker(name='NEB', input_set_generator=<factory>, write_input_set_kwargs=<factory>, copy_vasp_kwargs=<factory>, run_vasp_kwargs=<factory>, task_document_kwargs=<factory>, stop_children_kwargs=<factory>, write_additional_data=<factory>, kpoints_kludge=True)

Bases: BaseVaspMaker

Maker to create VASP NEB jobs from a set of images.

Parameters:

• name (str)

• input_set_generator (VaspInputGenerator)

• write_input_set_kwargs (dict)

• copy_vasp_kwargs (dict)

• run_vasp_kwargs (dict)

• task_document_kwargs (dict)

• stop_children_kwargs (dict)

• write_additional_data (dict)

• kpoints_kludge (Kpoints | bool)

make(images, prev_dir=None)

Make an NEB job from a list of images.

Parameters:

• images (list[Structure]) – A list of NEB images.

• prev_dir (str or Path or None (default)) – A previous directory to copy outputs from.

Return type:

Response