VaspOutputTestData

class atomate2.utils.testing.vasp.VaspOutputTestData(*, CONTCAR=None, OUTCAR=None, vasprun_xml=None, WAVECAR=None, CHGCAR=None)[source]

Bases: TestData

Schema for output VASP test data.

Parameters:
  • CONTCAR (Poscar | None)

  • OUTCAR (str | None)

  • vasprun_xml (str | None)

  • WAVECAR (str | None)

  • CHGCAR (str | None)

model_config = {}

Configuration for the model, should be a dictionary conforming to [ConfigDict][pydantic.config.ConfigDict].