/* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator http://lammps.sandia.gov, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains certain rights in this software. This software is distributed under the GNU General Public License. See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ #include "error_stats.h" #include #include #include void ErrorStats::reset() { num = 0; maxidx = -1; sum = sumsq = maxerr =0.0; } void ErrorStats::add(const double &val) { ++num; if (val > maxerr) { maxidx = num; maxerr = val; } sum += val; sumsq += val*val; } double ErrorStats::avg() const { return (num > 0) ? sum/num : 0.0; } double ErrorStats::dev() const { return (num > 0) ? sqrt(sumsq/num - sum/num*sum/num) : 0.0; } std::ostream &operator<<(std::ostream &out, const ErrorStats &stats) { const std::ios_base::fmtflags flags = out.flags(); const std::streamsize width = out.width(10); const std::streamsize prec = out.precision(3); out << std::scientific << "Average: " << stats.avg() << " StdDev: " << stats.dev() << " MaxErr: " << stats.max(); out.precision(prec); out.width(width); out.flags(flags); return out << " @ item: " << stats.idx(); }