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/dports/science/plumed/plumed2-2.7.2/src/ves/
H A DVesDeltaF.cpp144 std::vector<double> inst_alpha_; member in PLMD::ves::VesDeltaF
348 inst_alpha_=mean_alpha_; in VesDeltaF()
417 ifile.scanField("auxiliary_"+index,inst_alpha_[i]); in VesDeltaF()
686 increment_i+=hess_omega[get_index(i,j)]*(inst_alpha_[j]-mean_alpha_[j]); in update_alpha()
691 inst_alpha_[i]-=minimization_step_/damping[i]*increment_i; in update_alpha()
692 mean_alpha_[i]+=(inst_alpha_[i]-mean_alpha_[i])/mean_weight; in update_alpha()
704 alphaOfile_.printField("auxiliary_"+index,inst_alpha_[i]); in update_alpha()