Commit 27f99534 authored by Steve Plimpton's avatar Steve Plimpton Committed by GitHub
Browse files

Merge pull request #654 from giacomofiorin/colvars-small-fix 

Fix small typo to calculation of accumulated work in Colvars
parents 5f6937da f1fce64f

lib/colvars/colvarbias_restraint.cpp

+1 −1
Original line number Diff line number Diff line
@@ -308,7 +308,7 @@ int colvarbias_restraint_centers_moving::update_centers(cvm::real lambda) 
    colvarvalue const c_new = colvarvalue::interpolate(initial_centers[i],

                                                       target_centers[i],

                                                       lambda);

    centers_incr[i] = (c_new).dist2_grad(colvar_centers[i]);

    centers_incr[i] = 0.5 * c_new.dist2_grad(colvar_centers[i]);

    colvar_centers[i] = c_new;

    variables(i)->wrap(colvar_centers[i]);

  }

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