pawpyseed.core.wavefunction.CoreRegion Class Reference

Public Member Functions
def	__init__ (self, potcar)

Public Attributes
	pps

Detailed Description

List of Pseudopotential objects to describe the core region of a structure.

Attributes:
    pps (dict of Pseudopotential): keys are element symbols,
        values are Pseudopotential objects

Constructor & Destructor Documentation

def pawpyseed.core.wavefunction.CoreRegion.__init__	(		self,
			potcar
	)

Returns a new CoreRegion object from a
pymatgen.io.vasp.inputs.Potcar class.

Arguments:
    potcar (pymatgen.io.vasp.inputs.Potcar): Potcar file for
the VASP calculation

Returns:
    CoreRegion object based on potcar

Member Data Documentation

pawpyseed.core.wavefunction.CoreRegion.pps

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The documentation for this class was generated from the following file:

• /home/kyle/Research/projects/pawpyseed/pawpyseed/core/wavefunction.py