Update order of LangevinIntegrator arguments so it can be a drop-in replacement for OpenMM version.
@@ -937,10 +937,10 @@ class LangevinIntegrator(ThermostatedIntegrator):
_kinetic_energy = "0.5 * m * v * v"
def __init__(self,
- splitting="V R O R V",
temperature=298.0 * simtk.unit.kelvin,
collision_rate=1.0 / simtk.unit.picoseconds,
timestep=1.0 * simtk.unit.femtoseconds,
+ splitting="V R O R V",
constraint_tolerance=1e-8,
measure_shadow_work=False,
measure_heat=True,
