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/dports/science/plumed/plumed2-2.7.2/src/ves/
H A DVesDeltaF.cpp130 double tot_prob_; member in PLMD::ves::VesDeltaF
514 tot_prob_=prob_[0]; in calculate()
516 tot_prob_+=prob_[i+1]*exp_alpha_[i]; in calculate()
519 setBias((1-inv_gamma_)/beta_*std::log(tot_prob_)); in calculate()
525 setOutputForce(s,-(1-inv_gamma_)/beta_/tot_prob_*dProb_dCV_s); in calculate()
545 dV_dAlpha[i]=-(1-inv_gamma_)/tot_prob_*prob_[i+1]*exp_alpha_[i]; in update()
568 work_+=(1-inv_gamma_)/beta_*std::log(tot_prob_/prev_tot_prob); in update()