def coul_total

bend-prot@0.1.0.0 · force.bend:134

import Base
import bend-prot@0.1.0.0/protein.bend as P

134def coul_total(
135  xs: List<&2, P.Atom>, +qs_o: List<&2, F32>, +ys: List<&2, P.Atom>,
136  +qs_e: List<&2, F32>, +ke: F32, +c2: F32
137) -> F32:
138  match xs qs_o:
139    case Nil{} Nil{}:
140      0.0
141    case Nil{} qh <> qt:
142      0.0
143    case h <> t Nil{}:
144      0.0
145    case h <> t qh <> qt:
146      (coul_total(t, qt, ys, qs_e, ke, c2) + coul_self(h, qh, ys, qs_e, ke, c2) : F32)