ModelOneBody¶
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class
ModelOneBody
: public feasst::Model¶ Subclassed by feasst::ChargeSelf, feasst::ModelEmpty, feasst::ModelHardShape, feasst::ModelLJShape, feasst::ModelSquareWellShape, feasst::ModelTableCart1DHard, feasst::ModelTableCart2DIntegr, feasst::ModelTableCart3DIntegr
Public Functions
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double
compute
(const ModelParams &model_params, const int group_index, Configuration *config, VisitModel *visitor)¶ Visit the model over the entire configuration.
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double
compute
(const ModelParams &model_params, Configuration *config, VisitModel *visitor)¶ 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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double
compute
(const ModelParams &model_params, const Select &selection, const int group_index, Configuration *config, VisitModel *visitor)¶ 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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double
compute
(const ModelParams &model_params, const Select &selection, Configuration *config, VisitModel *visitor)¶ 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
energy
(const Position &wrapped_site, const Site &site, const Configuration &config, const ModelParams &model_params) = 0¶ Return the energy given the wrapped coordinates, site, config and params.
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double
energy_no_wrap
(const Site &site, const Configuration &config, const ModelParams &model_params)¶ Same as above, but assume that the site position is already wrapped.
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double