quantity.targets.init_angular_distribution_target#
- init_angular_distribution_target(target, r_outer=0.318, r_inner=0.0, nbins=150, gamma=1.0, adf_species=None)[source]#
Initializes an ADF target.
An ADF is a probability distribution of angles between particles in a solvation shell specified via r_outer and r_inner. Triplet contributions with distances not in r_inner and r_outer are smoothly masked out.
- Parameters:
target (
Union[Array,ndarray,bool,number,bool,int,float,complex,List[Union[Array,ndarray,bool,number,bool,int,float,complex]]]) – Target rdf with r-values and distribution.r_outer (
float) – Maximum pairwise distance between particles of a triplet.r_inner (
float) – Minimum pairwise distance between particles of a triplet.nbins (
int) – Number of bins of the target distribution.gamma (
float) – Scaling factor of the loss contribution.adf_species (
Union[Array,ndarray,bool,number,bool,int,float,complex]) – Compute the ADF for triplets with different species
- Return type:
TargetInit