sfepy.physics.potentials module

Classes for constructing potentials of atoms and molecules.

class sfepy.physics.potentials.CompoundPotential(objs=None)[source]

Sum of several potentials.

append(obj)[source]
insert(ii, obj)[source]
update_expression()[source]
class sfepy.physics.potentials.Potential(name, function, centre=None, dim=3, args=None)[source]

Single spherically symmetric potential.

get_charge(coors, eps=1e-06)[source]

Get charge corresponding to the potential by numerically applying Laplacian in spherical coordinates.

get_distance(coors)[source]

Get the distance of points with coordinates coors of the potential centre.

class sfepy.physics.potentials.PotentialBase(**kwargs)[source]

Base class for potentials.