Home
last modified time | relevance | path

Searched refs:d2V_dAlpha2 (Results 1 – 1 of 1) sorted by relevance

/dports/science/plumed/plumed2-2.7.2/src/ves/
H A DVesDeltaF.cpp543 std::vector<double> d2V_dAlpha2(sym_alpha_size_); in update() local
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()
561 av_d2V_dAlpha2_[ij]+=(d2V_dAlpha2[ij]-av_d2V_dAlpha2_[ij])/av_counter_; in update()
606 std::vector<double> d2V_dAlpha2(sym_alpha_size_); in update_tg_and_rct() local
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()
620 tg_d2V_dAlpha2_[ij]+=unnorm_tg_p*d2V_dAlpha2[ij]; in update_tg_and_rct()