def set_forces

bend-prot@0.1.0.0 · sim.bend:169

import Base
import bend-prot@0.1.0.0/force.bend as F
import bend-prot@0.1.0.0/bonded.bend as B

169# Fresh forces (uniform-LJ with exclusions + Coulomb + bonds) into state.
170def set_forces(+ds: List<&2, DynAtom>, +qs: List<&2, F32>, +bonds: List<&2, U32>, +p: SimParams) -> List<&2, DynAtom>:
171  match p:
172    case SP{+eps, +sig2, +c2, +ke, +kbond}:
173      dyn_set_force(ds, add_forces(add_forces(B.lj_forces_excl(dyn_atoms(ds), dyn_atoms(ds), eps, sig2, c2, bonds), F.coul_forces(dyn_atoms(ds), qs, dyn_atoms(ds), qs, ke, c2)), B.bond_forces(dyn_atoms(ds), bonds, kbond)))