add splitting string for GHMC
@@ -1690,7 +1690,7 @@ class GHMCIntegrator(LangevinSplittingIntegrator):
http://www.amazon.com/Free-Energy-Computations-Mathematical-Perspective/dp/1848162472
"""
- super(GHMCIntegrator, self).__init__(splitting="", temperature=temperature, collision_rate=collision_rate,
+ super(GHMCIntegrator, self).__init__(splitting="O ( V R V )", temperature=temperature, collision_rate=collision_rate,
timestep=timestep,
constraint_tolerance=constraint_tolerance,
measure_shadow_work=measure_shadow_work, measure_heat=measure_heat)
