Calculations ------------ .. module:: qmpy In :mod:`qmpy` a VASP calculation is represented by a :mod:`~qmpy.Calculation` object. This object contains tools for writing calcualtion inputs and reading calculation outputs. Additionally, it provides tools for automatically correcting errors in calculations. Calculation ^^^^^^^^^^^ .. autoclass:: Calculation :members: Density of States ^^^^^^^^^^^^^^^^^ .. autoclass:: DOS :members: Potential ^^^^^^^^^ .. autoclass:: Potential :members: .. autoclass:: Hubbard :members: