pawpyseed.core.utils Namespace Reference

Miscellaneous utilities file for the Python portion of the code. More...

Classes
class	PAWpyError
class	PAWpyWarning

Functions
def	check_spin (spin, nspin)
def	el (site)

Detailed Description

Miscellaneous utilities file for the Python portion of the code.

Function Documentation

def pawpyseed.core.utils.check_spin	(		spin,
			nspin
	)

Utility to check if the spin input parameter to single_band_projection
and similar functions is allowed given nspin of the wavefunction object
being analyzed. Returns a new value of spin if spin must be changed,
raises an error if spin is not allowed.

def pawpyseed.core.utils.el

(

site

)

Return the element symbol of a pymatgen
site object