Class NonAdditiveCutoffCalculator#

Class Documentation#

class NonAdditiveCutoffCalculator#

Get the non additive interaction range as defined in PHYSICAL REVIEW X 12, 021001 (2022).

when non_additivity is set to 0 the interaction range is the same as the cutoff radius.

TODO: template this to make the additional cost of this 0 without non_additivity

Param radius_i:

Param radius_j:

Param non_additivity:

Return:

double

Public Functions

inline NonAdditiveCutoffCalculator(double non_additivity, double cutoff_factor = 1.0)#
inline NonAdditiveCutoffCalculator()#
inline double get_cutoff(const double radius_i, const double radius_j) const#
inline double get_max_cutoff_distance(double max_radius) const#