Potential

class Potential

A potential represents both the model and the method used to compute the model (e.g., VisitModel) for a given Configuration. A potential also allows customization of the model parameters templated but separate from those in the Configuration.

Arguments

  • config: name of Configuration in System (default: 0).

  • group_index: set the index of the Group in the Configuration which contributes to this Potential (default: 0, representing entire config).

  • group: name of Group defined within System (default: “”). Cannot be used with group_index.

  • cell_index: set the index of the cell, only used with VisitModelCell. This also overrides group_index.

  • prevent_cache: set this to true in order to prevent the use of cache (default: false)

  • table_size: set size of ModelTwoBodyTable (default: 0). Do not use if size <= 0.

  • table_hard_sphere_threshold: If using a table above, set the ModelTwoBodyTable hard_sphere_threshold (default: 0.85).

  • [parameter]/[i]/[j]: as described in Configuration arguments.

  • Model: derived class Model name (default: ModelEmpty).

  • VisitModel: derived class VisitModel name (default: VisitModel).