FIREIntegrator to pass test
@@ -2152,6 +2152,9 @@ class FIREMinimizationIntegrator(mm.CustomIntegrator):
self.addGlobalVariable("restart", 0)
self.addGlobalVariable("delta_t", timestep.value_in_unit_system(unit.md_unit_system))
+ # Update context state.
+ self.addUpdateContextState()
+
# Assess convergence
# TODO: Can we more closely match the OpenMM criterion here?
self.beginIfBlock('converged < 1')
