Fix missing force with extended-Lagrangian mass
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@ -314,6 +314,9 @@ colvar::colvar(std::string const &conf)
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enable(f_cv_extended_Lagrangian);
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provide(f_cv_Langevin);
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// The extended mass will apply forces
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enable(f_cv_gradient);
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xr.type(value());
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vr.type(value());
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fr.type(value());
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@ -1209,6 +1212,10 @@ cvm::real colvar::update_forces_energy()
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if (is_enabled(f_cv_extended_Lagrangian)) {
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if (cvm::debug()) {
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cvm::log("Updating extended-Lagrangian degrees of freedom.\n");
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}
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cvm::real dt = cvm::dt();
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colvarvalue f_ext(fr.type());
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f_ext.reset();
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