nanotools.aobasis module

Created on 2020-05-11

@author: Vincent Michaud-Rioux

class nanotools.aobasis.NaoBasis(path: str, varname: str, symbol: str | None = None, numorb: int | None = None, orb: AoOrb | None = None)[source]

Bases: Base

naoBasis class.

orb

Atomic orbitals.

Type:: AoOrb

path

Pseudopotential path.

Type:: str

symbol

Element symbol.

Type:: str

varname

Variable name in the H5/MAT-file.

Type:: str

class nanotools.aobasis.VnlBasis(path: str, varname: str, symbol: str | None = None, numorb: int | None = None, orb=None)[source]