Moved shadow work zeroing outside of if block
@@ -1370,8 +1370,8 @@ class LangevinSplittingIntegrator(ThermostatedIntegrator):
self.beginIfBlock("accept != 1")
self.addComputePerDof("x", "xold")
self.addComputePerDof("v", "-vold")
- self.addComputeGlobal("shadow_work", 0)
self.endBlock()
+ self.addComputeGlobal("shadow_work", 0)
def begin_metropolize(self):
"""
