Index

B

basis sets gbasis (attribute) nbasis (attribute) nmo (attribute)

bridge horton module

D

data_notes module

development changelog

E

energy ccenergies (attribute) mpenergies (attribute)

G

geometry optimisation geotargets (attribute)

geomtry optimisation geovalues (attribute)

M

methods Accessing additional methods through bridge Bader's QTAIM Bickelhaupt Population Analysis C squared population analysis (CSPA) DDEC6 Hirshfeld Population Analysis Löwdin Population Analysis module Mulliken population analysis (MPA)

module bridge data_notes methods molecular orbitals homos (attribute) mocoeffs (attribute) moenergies (attribute) mosyms (attribute)

P

properties atomcharges (attribute) moments (attribute)

T

testing regressions unit tests, [1]