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.