API Documentation

n2v Package

n2v Density-to-potential inversion module

Classes

Direct()
Grider()
Inverter(wfn[, pbs, debug])	Attributes:
MRKS()	Wavefunction to KS_potential method based on [1] [PRL 115, 083001 (2015)], [2] [J.
OC()	Ou-Carter density to potential inversion [1].
PDECO()	Performs Optimization as in: 10.1063/1.1535422 - Qin Wu + Weitao Yang
WuYang()	Performs Optimization as in: 10.1063/1.1535422 - Qin Wu + Weitao Yang
ZMP()
data_bucket()	Data class for storing grid attributes.

Class Inheritance Diagram