ModelLJShape¶
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class
ModelLJShape
: public feasst::ModelOneBody, public feasst::ShapedEntity¶ Note that the input shape of this model represents the shape of the cavity.
\( U(r) = \epsilon \left( \frac{r}{\sigma} \right)^\alpha \)
Public Functions
- Parameters
args
: alpha: set the exponent (default: 3).
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double
energy
(const Position &wrapped_site, const Site &site, const Configuration &config, const ModelParams &model_params)¶ Return the energy given the wrapped coordinates, site, config and params.
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void
serialize
(std::ostream &ostr) const¶ Output a serialized version of the existing model.