diff --git a/src/KOKKOS/compute_phase_atom_kokkos.cpp b/src/KOKKOS/compute_phase_atom_kokkos.cpp index 0b30c5d6fd..b0637526de 100644 --- a/src/KOKKOS/compute_phase_atom_kokkos.cpp +++ b/src/KOKKOS/compute_phase_atom_kokkos.cpp @@ -1,6 +1,6 @@ /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - https://lammps.sandia.gov/, Sandia National Laboratories + https://www.lammps.org/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract @@ -182,7 +182,7 @@ void ComputePhaseAtomKokkos::operator()(TagComputePhaseAtom, const i for (int jj = 0; jj < jnum; jj++) { int j = d_neighbors(i,jj); j &= NEIGHMASK; - + const F_FLOAT delx = x(j,0) - xtmp; const F_FLOAT dely = x(j,1) - ytmp; const F_FLOAT delz = x(j,2) - ztmp; diff --git a/src/KOKKOS/compute_phase_atom_kokkos.h b/src/KOKKOS/compute_phase_atom_kokkos.h index 8cfa35d2c8..247acd3f03 100644 --- a/src/KOKKOS/compute_phase_atom_kokkos.h +++ b/src/KOKKOS/compute_phase_atom_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - https://lammps.sandia.gov/, Sandia National Laboratories + https://www.lammps.org/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_phase_atom.cpp b/src/compute_phase_atom.cpp index 0f166b2be2..c1382392d7 100644 --- a/src/compute_phase_atom.cpp +++ b/src/compute_phase_atom.cpp @@ -1,6 +1,6 @@ /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - https://lammps.sandia.gov/, Sandia National Laboratories + https://www.lammps.org/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract @@ -152,19 +152,19 @@ void ComputePhaseAtom::compute_peratom() vsum[2] = v[i][2]; for (jj = 0; jj < jnum; jj++) { - j = jlist[jj]; - j &= NEIGHMASK; + j = jlist[jj]; + j &= NEIGHMASK; - delx = xtmp - x[j][0]; - dely = ytmp - x[j][1]; - delz = ztmp - x[j][2]; - rsq = delx*delx + dely*dely + delz*delz; - if (rsq < cutsq) { - count++; + delx = xtmp - x[j][0]; + dely = ytmp - x[j][1]; + delz = ztmp - x[j][2]; + rsq = delx*delx + dely*dely + delz*delz; + if (rsq < cutsq) { + count++; vsum[0] += v[j][0]; vsum[1] += v[j][1]; vsum[2] += v[j][2]; - } + } } vavg[0] = vsum[0]/count; diff --git a/src/compute_phase_atom.h b/src/compute_phase_atom.h index 26d9636cc8..ab0dc3081e 100644 --- a/src/compute_phase_atom.h +++ b/src/compute_phase_atom.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - https://lammps.sandia.gov/, Sandia National Laboratories + https://www.lammps.org/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract