ModelHardShape

class ModelHardShape : public feasst::ModelOneBody, public feasst::ShapedEntity

Create a cavity of a given shape, where the potential energy outside of the shape is infinite. Optionally set the cavity to false (default: true) to model a hard shape. Shapes are not subject to periodic boundaries, but interact with wrapped site positions.

Public Functions

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.

void serialize(std::ostream &ostr) const

Output a serialized version of the existing model.

Arguments

• Same arguments as ShapeFile.

• cavity: if true, the potential outside the shape is infinite. if false, the potential inside the shape is infinite (default: true).