Searched refs:transitionwells_ (Results 1 – 1 of 1) sorted by relevance
446 vector<vector<double> > transitionwells_; member in PLMD::bias::MetaD698 transitionwells_.push_back(tempcoords); in MetaD()1031 log<<" Number of transition wells "<<transitionwells_.size()<<"\n"; in MetaD()1036 for (unsigned i = 0; i < transitionwells_.size(); i++) { in MetaD()1046 …if (transitionwells_[i][j] < min || transitionwells_[i][j] > max) error(" transition well is not i… in MetaD()1970 if (transitionwells_.size() == 1) { in getTransitionBarrierBias()1971 double tb_bias = getBiasAndDerivatives(transitionwells_[0], NULL); in getTransitionBarrierBias()1986 vector<double> sink = transitionwells_[0]; in getTransitionBarrierBias()1987 vector<double> source = transitionwells_[1]; in getTransitionBarrierBias()1989 for (unsigned i = 2; i < transitionwells_.size(); i++) { in getTransitionBarrierBias()[all …]