sfepy.physics.potentials module
Classes for constructing potentials of atoms and molecules.
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class sfepy.physics.potentials.CompoundPotential(objs=None)[source]
Sum of several potentials.
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append(obj)[source]
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insert(ii, obj)[source]
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update_expression()[source]
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class sfepy.physics.potentials.Potential(name, function, centre=None, dim=3, args=None)[source]
Single spherically symmetric potential.
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get_charge(coors, eps=1e-06)[source]
Get charge corresponding to the potential by numerically
applying Laplacian in spherical coordinates.
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get_distance(coors)[source]
Get the distance of points with coordinates coors of the
potential centre.
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class sfepy.physics.potentials.PotentialBase(**kwargs)[source]
Base class for potentials.