Fix check in integrator_splitting check since it has to be used outside of the Phase factory
@@ -2212,7 +2212,7 @@ class ExperimentBuilder(object):
]
else:
move_list = []
- integrator_splitting = phase_opts['integrator_splitting']
+ integrator_splitting = phase_opts['integrator_splitting'] if 'integrator_splitting' in phase_opts else None
if integrator_splitting is not None:
move_list.append(mmtools.mcmc.LangevinSplittingDynamicsMove(timestep=exp_opts['timestep'],
collision_rate=exp_opts['collision_rate'],
