Model¶
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class
Model
¶ Subclassed by feasst::ModelOneBody, feasst::ModelThreeBody, feasst::ModelTwoBody
Public Functions
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virtual double
compute
(const ModelParams &model_params, const int group_index, Configuration *config, VisitModel *visitor) = 0¶ Visit the model over the entire configuration.
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virtual double
compute
(const ModelParams &model_params, Configuration *config, VisitModel *visitor) = 0¶ Same as above, except the group index is assumed to be zero (which is all particles and sites in the configuration).
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virtual double
compute
(const ModelParams &model_params, const Select &selection, const int group_index, Configuration *config, VisitModel *visitor) = 0¶ Visit the model over a selection of the configuration. Optionally, restrict to groups of given index, which is only relevant for multibody models (e.g., two body and not one body).
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virtual double
compute
(const ModelParams &model_params, const Select &selection, Configuration *config, VisitModel *visitor) = 0¶ Same as above, except the group index is assumed to be zero (which is all particles and sites in the configuration)
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virtual void
precompute
(const ModelParams &existing)¶ Precompute model parameters based on existing model parameters.
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virtual void
serialize
(std::ostream &ostr) const¶ Output a serialized version of the existing model.
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virtual double