Searched refs:height0_ (Results 1 – 2 of 2) sorted by relevance
410 double height0_; member in PLMD::bias::MetaD563 height0_(std::numeric_limits<double>::max()), biasf_(-1.0), dampfactor_(0.0), in MetaD()646 parse("HEIGHT",height0_); in MetaD()709 if(welltemp_) tau=(kbt_*(biasf_-1.0))/height0_*getTimeStep()*stride_; in MetaD()710 else if(dampfactor_>0.0) tau=(kbt_*dampfactor_)/height0_*getTimeStep()*stride_; in MetaD()714 if(biasf_!=1.0) height0_=(kbt_*(biasf_-1.0))/tau*getTimeStep()*stride_; in MetaD()717 else if(dampfactor_>0.0) height0_=(kbt_*dampfactor_)/tau*getTimeStep()*stride_; in MetaD()863 log.printf(" Gaussian height %f\n",height0_); in MetaD()1631 double height=height0_; in getHeight()1635 height = height0_*exp(-vbias/(kbt_*(biasf_-1.0))); in getHeight()[all …]
242 double height0_; member in PLMD::bias::PBMetaD328 grid_(false), height0_(std::numeric_limits<double>::max()), in PBMetaD()396 parse("HEIGHT",height0_); in PBMetaD()421 …if(height0_==std::numeric_limits<double>::max()) error("At least one between HEIGHT and TAU should… in PBMetaD()423 if(welltemp_) tau=(kbt_*(biasf_-1.0))/height0_*getTimeStep()*stride_; in PBMetaD()426 …if(height0_!=std::numeric_limits<double>::max()) error("At most one between HEIGHT and TAU should … in PBMetaD()427 height0_=(kbt_*(biasf_-1.0))/tau*getTimeStep()*stride_; in PBMetaD()537 log.printf(" Gaussian height %f\n",height0_); in PBMetaD()1035 height[i] *= height0_ / norm; in update()