Index

A

add_atom() (molgrid.molecule.Molecule method) angular_coords (molgrid.atomicgrid.AtomicGrid property) angular_weights (molgrid.atomicgrid.AtomicGrid property)

assign_coordinate() (molgrid.molecule.Atom method) Atom (class in molgrid.molecule) AtomicGrid (class in molgrid.atomicgrid)

B

Becke (class in molgrid.partition)

build() (molgrid.atomicgrid.AtomicGrid method) (molgrid.moleculargrid.MolecularGrid method)

C

center (molgrid.atomicgrid.AtomicGrid property) coordinate (molgrid.molecule.Molecule property)

coords (molgrid.atomicgrid.AtomicGrid property) (molgrid.moleculargrid.MolecularGrid property)

E

Element (class in molgrid.molecule)

F

finite() (molgrid.quadrature.GaussChebychev method)

G

GaussChebychev (class in molgrid.quadrature) get() (molgrid.quadrature.Lebedev method)

get_atom() (molgrid.molecule.Molecule method) get_degrees_list() (molgrid.quadrature.Lebedev method) get_npoints_list() (molgrid.quadrature.Lebedev method)

L

Lebedev (class in molgrid.quadrature)

M

mass (molgrid.molecule.Molecule property) module molgrid molgrid.atomicgrid molgrid.moleculargrid molgrid.molecule molgrid.partition molgrid.quadrature MolecularGrid (class in molgrid.moleculargrid) Molecule (class in molgrid.molecule) molgrid module

molgrid.atomicgrid module molgrid.moleculargrid module molgrid.molecule module molgrid.partition module molgrid.quadrature module

P

partition() (molgrid.moleculargrid.MolecularGrid method)

R

radial_coords (molgrid.atomicgrid.AtomicGrid property)

radial_weights (molgrid.atomicgrid.AtomicGrid property) remove_atom() (molgrid.molecule.Molecule method)

S

semi_infinite() (molgrid.quadrature.GaussChebychev method)

W

weight_function() (molgrid.partition.Becke method)

weights (molgrid.atomicgrid.AtomicGrid property) (molgrid.moleculargrid.MolecularGrid property)