Changeset 20fc6f

Timestamp:

May 20, 2021, 7:39:44 PM (4 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

Candidate_v1.7.0, stable

Children:

4b2207

Parents:

9b0dcd

Message:

FIX: PotentialTrainer always ignored take-best-of param.

File:

• src/Potentials/PotentialTrainer.cpp (modified) (2 diffs)

src/Potentials/PotentialTrainer.cpp

@@ -149 +149 @@
       // threshold overrules max_runs
       const double threshold = _threshold;
-      const unsigned int max_runs = (threshold >= 1.) ? _best_of_howmany : 1;
+      const unsigned int max_runs = (threshold >= 1.) ? _best_of_howmany : std::numeric_limits<unsigned int>::max();
       LOG(1, "INFO: Maximum runs is " << max_runs << " and threshold set to " << threshold << ".");
       do {
@@ -167 +167 @@
               << " has better error of " << l2error << ".");
         }
-      } while (( ++runs < max_runs) || (l2error > threshold));
+      } while (( ++runs < max_runs) && (l2error > threshold));
       // reset parameters from best fit
       model.setParameters(bestparams);