Commit 93241304 authored by Gregor Michalicek's avatar Gregor Michalicek

Fix issue #334.

parent ee4b4d04
......@@ -99,6 +99,7 @@ CONTAINS
results%force=0.0
l_forceConverged=maxAbsForceDist<input%force_converged
l_forceConverged=l_forceConverged.and.(results%last_distance.LE.input%mindistance)
l_forceConverged=l_forceConverged.and.(results%last_distance.GE.0.0) ! In the first iteration results%last_distance is initialized to -1.0.
IF (.NOT.l_forceConverged) THEN
WRITE (6,8020) input%force_converged,maxAbsForceDist
8020 FORMAT ('No new postions, force convergence required=',f8.5,'; max force distance=',f8.5)
......
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