This module implements the functions that constructs atomic orbital basis by n Gaussian Type Orbitals (nGTO) More...
Functions | |
def | ao_basis.input_AO_name |
def | ao_basis.construct_ao_basis |
Finds the keywords and their patterns and extracts the parameters. More... | |
This module implements the functions that constructs atomic orbital basis by n Gaussian Type Orbitals (nGTO)