espressopp.interaction.Quartic¶
This class provides methods to compute forces and energies of the Quartic potential.
\[U=\frac{K}{4} \left(d^2 - r_0^2 \right)^2\]
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espressopp.interaction.
Quartic
(K, r0, cutoff, shift)¶ Parameters: - K (real) – (default: 1.0)
- r0 (real) – (default: 0.0)
- cutoff – (default: infinity)
- shift (real) – (default: 0.0)
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espressopp.interaction.
FixedPairListQuartic
(system, vl, potential)¶ Parameters: - system –
- vl –
- potential –
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espressopp.interaction.FixedPairListQuartic.
getFixedPairList
()¶ Return type: A Python list of lists.
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espressopp.interaction.FixedPairListQuartic.
setFixedPairList
(fixedpairlist)¶ Parameters: fixedpairlist –
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espressopp.interaction.FixedPairListQuartic.
setPotential
(type1, type2, potential)¶ Parameters: - type1 –
- type2 –
- potential –
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class
espressopp.interaction.Quartic.
Quartic
¶ The Quartic potential.