Index

_

__call__() (gaint.gauss.PrimitiveGaussian method) (gaint.obara_saika.nuclear_attraction.NuclearAttraction method) __init__() (gaint.gauss.PrimitiveGaussian method) (gaint.mcmurchie_davidson.nuclear_attraction.NuclearAttraction method) (gaint.obara_saika.electron_repulsion.ElectronRepulsion method) (gaint.obara_saika.nuclear_attraction.NuclearAttraction method)

B

boys() (in module gaint.boys)

boys_dict (gaint.obara_saika.nuclear_attraction.NuclearAttraction attribute) boys_recursion() (in module gaint.boys)

C

C (gaint.obara_saika.electron_repulsion.ElectronRepulsion attribute) (gaint.obara_saika.nuclear_attraction.NuclearAttraction attribute)

coefficent (gaint.gauss.PrimitiveGaussian attribute)

E

E1d (gaint.mcmurchie_davidson.nuclear_attraction.NuclearAttraction attribute) (gaint.mcmurchie_davidson.overlap.Overlap attribute) E1d() (in module gaint.mcmurchie_davidson.expansion_coefficient)

ElectronRepulsion (class in gaint.mcmurchie_davidson.electron_repulsion) (class in gaint.obara_saika.electron_repulsion) Eri() (gaint.obara_saika.electron_repulsion.ElectronRepulsion method) exponent (gaint.gauss.PrimitiveGaussian attribute)

G

gaint module gaint.boys module gaint.gauss module gaint.mcmurchie_davidson module gaint.mcmurchie_davidson.electron_repulsion module gaint.mcmurchie_davidson.expansion_coefficient module gaint.mcmurchie_davidson.hermite_coulomb module gaint.mcmurchie_davidson.kinetic module gaint.mcmurchie_davidson.nuclear_attraction module

gaint.mcmurchie_davidson.overlap module gaint.obara_saika module gaint.obara_saika.electron_repulsion module gaint.obara_saika.kinetic module gaint.obara_saika.nuclear_attraction module gaint.obara_saika.overlap module gaussian_factory() (gaint.obara_saika.electron_repulsion.ElectronRepulsion method) (gaint.obara_saika.kinetic.Kinetic method) (gaint.obara_saika.nuclear_attraction.NuclearAttraction method) (gaint.obara_saika.overlap.Overlap method)

K

Kab (gaint.obara_saika.electron_repulsion.ElectronRepulsion attribute) (gaint.obara_saika.nuclear_attraction.NuclearAttraction attribute)

Kinetic (class in gaint.mcmurchie_davidson.kinetic) (class in gaint.obara_saika.kinetic)

M

module gaint gaint.boys gaint.gauss gaint.mcmurchie_davidson gaint.mcmurchie_davidson.electron_repulsion gaint.mcmurchie_davidson.expansion_coefficient gaint.mcmurchie_davidson.hermite_coulomb gaint.mcmurchie_davidson.kinetic gaint.mcmurchie_davidson.nuclear_attraction gaint.mcmurchie_davidson.overlap gaint.obara_saika gaint.obara_saika.electron_repulsion gaint.obara_saika.kinetic gaint.obara_saika.nuclear_attraction gaint.obara_saika.overlap

mu (gaint.obara_saika.electron_repulsion.ElectronRepulsion attribute) (gaint.obara_saika.kinetic.Kinetic attribute) (gaint.obara_saika.nuclear_attraction.NuclearAttraction attribute) (gaint.obara_saika.overlap.Overlap attribute)

N

norm (gaint.gauss.PrimitiveGaussian attribute) (gaint.gauss.PrimitiveGaussian property)

NuclearAttraction (class in gaint.mcmurchie_davidson.nuclear_attraction) (class in gaint.obara_saika.nuclear_attraction)

O

origin (gaint.gauss.PrimitiveGaussian attribute)

Overlap (class in gaint.mcmurchie_davidson.overlap) (class in gaint.obara_saika.overlap)

P

P (gaint.obara_saika.electron_repulsion.ElectronRepulsion attribute) p (gaint.obara_saika.electron_repulsion.ElectronRepulsion attribute) P (gaint.obara_saika.kinetic.Kinetic attribute) p (gaint.obara_saika.kinetic.Kinetic attribute) P (gaint.obara_saika.nuclear_attraction.NuclearAttraction attribute)

p (gaint.obara_saika.nuclear_attraction.NuclearAttraction attribute) P (gaint.obara_saika.overlap.Overlap attribute) p (gaint.obara_saika.overlap.Overlap attribute) PrimitiveGaussian (class in gaint.gauss) Properties (gaint.gauss.PrimitiveGaussian attribute)

R

R3d (gaint.mcmurchie_davidson.nuclear_attraction.NuclearAttraction attribute) R3d() (in module gaint.mcmurchie_davidson.hermite_coulomb) recursive() (gaint.obara_saika.electron_repulsion.ElectronRepulsion method) (gaint.obara_saika.kinetic.Kinetic method) (gaint.obara_saika.nuclear_attraction.NuclearAttraction method) (gaint.obara_saika.overlap.Overlap method)

S

S1d (gaint.mcmurchie_davidson.kinetic.Kinetic attribute) (gaint.obara_saika.kinetic.Kinetic attribute)

S1d() (gaint.mcmurchie_davidson.overlap.Overlap method) (gaint.obara_saika.overlap.Overlap method) shell (gaint.gauss.PrimitiveGaussian attribute)

T

T1d() (gaint.mcmurchie_davidson.kinetic.Kinetic method) (gaint.obara_saika.kinetic.Kinetic method)

V

V() (gaint.obara_saika.nuclear_attraction.NuclearAttraction method)