Searched refs:cutoff2_ (Results 1 – 3 of 3) sorted by relevance
161 real cutoff2_; member in gmx::analysismodules::__anon95edc2e20111::PairDistance177 cutoff2_(0.0) in PairDistance()326 cutoff2_ = cutoff_ * cutoff_; in initAnalysis()510 distArray[index] = cutoff2_; in analyzeFrame()
147 real cutoffSquared() const { return cutoff2_; } in cutoffSquared()272 real cutoff2_; member in gmx::internal::AnalysisNeighborhoodSearchImpl417 cutoff_ = cutoff2_ = GMX_REAL_MAX; in AnalysisNeighborhoodSearchImpl()422 cutoff2_ = gmx::square(cutoff_); in AnalysisNeighborhoodSearchImpl()798 if (dist2 >= cutoff2_) in computeCutoffExtent()802 return std::sqrt(cutoff2_ - dist2); in computeCutoffExtent()1097 if (r2 <= search_.cutoff2_) in searchNext()1131 if (r2 <= search_.cutoff2_) in searchNext()
168 double cutoff2_; member in PLMD::opes::OPESmetad349 cutoff2_=cutoff*cutoff; in OPESmetad()350 val_at_cutoff_=std::exp(-0.5*cutoff2_); in OPESmetad()356 …plumed_massert(threshold2_>0 && threshold2_<cutoff2_,"COMPRESSION_THRESHOLD cannot be bigger than … in OPESmetad()684 kernelsOfile_.printField("kernel_cutoff",sqrt(cutoff2_)); in OPESmetad()1370 if(norm2_k<=nlist_param_[0]*cutoff2_) in updateNlist()1388 if(norm2_k<=nlist_param_[0]*cutoff2_) in updateNlist()1510 stateOfile_.printField("kernel_cutoff",sqrt(cutoff2_)); in dumpStateToFile()1563 if(norm2>=cutoff2_) in evaluateKernel()1576 if(norm2>=cutoff2_) in evaluateKernel()