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Commit 6f93b6f1 authored by Studer Gabriel's avatar Studer Gabriel
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Split Minimize Energy in simulation object into two functions

(Steepest descent and LBFGS)

Now it's possible to get the info back, whether steepest descent has
converged to the desired tolerance. Unfortunately this is not possible
for LBFGS. This is due to the implementation in OpenMM...
parent 0fdb1271
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