calculator

Full name: ase2sprkkr.asr.test.mocks.gpaw.calculator

Module class hierarchy

Inheritance diagram of ase2sprkkr.asr.test.mocks.gpaw.calculator.ASRCalculator, ase2sprkkr.asr.test.mocks.gpaw.calculator.DOSCalculator, ase2sprkkr.asr.test.mocks.gpaw.calculator.Occupations, ase2sprkkr.asr.test.mocks.gpaw.calculator.Parameters, ase2sprkkr.asr.test.mocks.gpaw.calculator.Setups, ase2sprkkr.asr.test.mocks.gpaw.calculator.WaveFunctions

Description

Classes

ASRCalculator([restart, ...])

Mock of a generic ASE calculator.

DOSCalculator(fermi_level)

Occupations()

Parameters

Dictionary for parameters.

Setups([iterable])

WaveFunctions()