NeighborCriteria

class NeighborCriteria

Criteria for defining neighbors.

Arguments

  • ref: name of RefPotential. If empty, use Potential (default: empty)

  • potential_index: index of potential for pair interaction (default: 0).

  • energy_maximum: maximum energy to be in cluster (default: largest double precision). Multiple values can be provided as a CSV, which requires the following arguments to also be provided in CSV with the same number of values.

  • minimum_distance: minimum separation distance (default: 0).

  • maximum_distance: maximum separation distance (default: NEAR_INFINITY).

  • site_type0: consider only interactions between a specific site type. If -1, consider all sites (default: -1). Otherwise, site_type1 must also be included.

  • site_type1: consider only interactions between a specific site type. If -1, consider all sites (default: -1).

class ncrit