espressopp.interaction.VSphereSelf¶
This class provides methods to compute forces and energies of the VSphereSelf potential.
\[U = e_1\left(\frac{4}{3}\pi \sigma^2\right)^{\frac{3}{2}}
+ \frac{a_1 {N_b}^3}{\sigma^6}
+ \frac{a_2}{N_b} \sigma^2\]
Reference: Flactuating soft-sphere approach to coars-graining of polymer melts, Soft matter, 2010, 6, 2282
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espressopp.interaction.
VSphereSelf
(e1, a1, a2, Nb, cutoff, shift)¶ Parameters: - e1 (real) – (default: 0.0)
- a1 (real) – (default: 1.0)
- a2 (real) – (default: 0.0)
- Nb (int) – (default: 1)
- cutoff – (default: infinity)
- shift (real) – (default: 0.0)
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espressopp.interaction.
SelfVSphere
(system, potential)¶ Parameters: - system –
- potential –
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espressopp.interaction.SelfVSphere.
getPotential
()¶ Return type:
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espressopp.interaction.SelfVSphere.
setPotential
(potential)¶ Parameters: potential –
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class
espressopp.interaction.VSphereSelf.
VSphereSelf
¶ The VSphereSelf potential.