Commit a0cc4f9e authored by Martin Reinecke's avatar Martin Reinecke

suggested fix for stopping criterion

parent 89e27a11
Pipeline #14735 passed with stage
in 8 minutes and 29 seconds
...@@ -165,7 +165,7 @@ class DescentMinimizer(Loggable, object): ...@@ -165,7 +165,7 @@ class DescentMinimizer(Loggable, object):
energy = new_energy energy = new_energy
# check convergence # check convergence
delta = abs(gradient).max() * (step_length/gradient_norm) delta = abs(gradient).max() * (step_length/np.sqrt(gradient_norm))
self.logger.debug("Iteration:%08u step_length=%3.1E " self.logger.debug("Iteration:%08u step_length=%3.1E "
"delta=%3.1E energy=%3.1E" % "delta=%3.1E energy=%3.1E" %
(iteration_number, step_length, delta, (iteration_number, step_length, delta,
......
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