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Searched refs:dV_dAlpha (Results 1 – 1 of 1) sorted by relevance

/dports/science/plumed/plumed2-2.7.2/src/ves/
H A DVesDeltaF.cpp542 std::vector<double> dV_dAlpha(alpha_size_); in update() local
545 dV_dAlpha[i]=-(1-inv_gamma_)/tot_prob_*prob_[i+1]*exp_alpha_[i]; in update()
548 d2V_dAlpha2[get_index(i,i)]=-beta_*dV_dAlpha[i]; in update()
550 d2V_dAlpha2[get_index(i,j)]-=beta_/(1-inv_gamma_)*dV_dAlpha[i]*dV_dAlpha[j]; in update()
556 av_dV_dAlpha_[i]+=(dV_dAlpha[i]-av_dV_dAlpha_[i])/av_counter_; in update()
560 av_dV_dAlpha_prod_[ij]+=(dV_dAlpha[i]*dV_dAlpha[j]-av_dV_dAlpha_prod_[ij])/av_counter_; in update()
605 std::vector<double> dV_dAlpha(alpha_size_); in update_tg_and_rct() local
608 dV_dAlpha[i]=-(1-inv_gamma_)/tot_prob*prob[i+1]*exp_alpha_[i]; in update_tg_and_rct()
611 d2V_dAlpha2[get_index(i,i)]=-beta_*dV_dAlpha[i]; in update_tg_and_rct()
613 d2V_dAlpha2[get_index(i,j)]-=beta_/(1-inv_gamma_)*dV_dAlpha[i]*dV_dAlpha[j]; in update_tg_and_rct()
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