converged = self.checkConvergence()
if converged:
LOGGER.warn("The part starting from structB converged.")
break
ensemble = Ensemble("combined trajectory")
ensemble.setAtoms(self.structA)
for coordset in self.ensembleA.getCoordsets():
After Change
self.resetFmin = False
converged = self.checkConvergence()
if converged:
self.structA.setCoords(self.coordsA) // That way the original object is back to normal
self.structB.setCoords(self.coordsB) // That way the original object is back to normal
LOGGER.warn("The part starting from structB converged.")
break
