espressopp.interaction.SoftCosine

This class provides methods to compute forces and energies ofthe SoftCosine potential.

\[V(r) = A \left[ 1.0 + cos \left( \frac{\pi r}{r_c} \right) \right]\]

espressopp.interaction.SoftCosine(A, cutoff, shift)

Parameters:

• A (real) – (default: 1.0)
• cutoff – (default: infinity)
• shift – (default: “auto”)

espressopp.interaction.VerletListSoftCosine(stor)

Parameters:stor –

espressopp.interaction.VerletListSoftCosine.setPotential(type1, type2, potential)

Parameters:

• type1 –
• type2 –
• potential –

espressopp.interaction.CellListSoftCosine(stor)

Parameters:stor –

espressopp.interaction.CellListSoftCosine.setPotential(type1, type2, potential)

Parameters:

• type1 –
• type2 –
• potential –

espressopp.interaction.FixedPairListSoftCosine(system, vl, potential)

Parameters:

• system –
• vl –
• potential –

espressopp.interaction.FixedPairListSoftCosine.setPotential(potential)

Parameters:potential –

class espressopp.interaction.SoftCosine.SoftCosine

The SoftCosine potential.