custodian.vasp.interpreter module

Implements various interpreters and modders for VASP.

class custodian.vasp.interpreter.VaspModder(actions=None, strict=True, vi=None)

Bases: Modder

A Modder for VaspInputSets.

Initializes a Modder for VaspInput sets

• Parameters
  • actions ([Action]) – A sequence of supported actions. See custodian.ansible.actions. Default is None, which means DictActions and FileActions are supported.
  • strict (bool) – Indicating whether to use strict mode. In non-strict mode, unsupported actions are simply ignored without any errors raised. In strict mode, if an unsupported action is supplied, a ValueError is raised. Defaults to True.
  • vi (VaspInput) – A VaspInput object from the current directory. Initialized automatically if not passed (but passing it will avoid having to reparse the directory).

apply_actions(actions)

Applies a list of actions to the Vasp Input Set and rewrites modified files. :param actions [dict]: A list of actions of the form {‘file’: filename,

‘action’: moddermodification} or {‘dict’: vaspinput_key, ‘action’: moddermodification}