def lj_head_pbc

bend-prot@0.1.0.0 · pbc.bend:28

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

28def lj_head_pbc(+pi: G.Vec3, +eps: F32, +sig2: F32, +c2: F32, +box: G.Vec3, h: P.Atom) -> F32:
29  match h:
30    case P.Atom{serial, elem, +pj}:
31      lj_pair_pbc(pi, pj, eps, sig2, c2, box)