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def md_step

bend-prot@0.1.0.0 · sim.bend:208

import bend-prot@0.1.0.0/sim.bend as Sim
import Base

208def md_step(+ds: List<&2, DynAtom>, +qs: List<&2, F32>, +bonds: List<&2, U32>, +p: SimParams, +dt: F32, +tau: F32, +temp0: F32, +n: Nat) -> List<&2, DynAtom>:
209  md_thermo(vv_full(set_forces(vv_half(ds, dt), qs, bonds, p), dt), dt, tau, temp0, n)

Uses (10)

Used by (1)