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Fix small typo to calculation of accumulated work in Colvars

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Giacomo Fiorin
2017-09-14 12:58:00 -04:00
parent f971cd6e45
commit f1fce64ff9
1 changed files with 1 additions and 1 deletions
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lib/colvars/colvarbias_restraint.cpp
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@ -308,7 +308,7 @@ int colvarbias_restraint_centers_moving::update_centers(cvm::real lambda)
colvarvalue const c_new = colvarvalue::interpolate(initial_centers[i], colvarvalue const c_new = colvarvalue::interpolate(initial_centers[i],
target_centers[i], target_centers[i],
lambda); 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; colvar_centers[i] = c_new;
variables(i)->wrap(colvar_centers[i]); variables(i)->wrap(colvar_centers[i]);
} }