Merge branch 'master' of https://github.com/lammps/lammps into lammps-master

This commit is contained in:
Jacob Gissinger
2021-06-07 22:48:51 -04:00
4175 changed files with 127478 additions and 48418 deletions

View File

@ -1,6 +1,7 @@
// clang-format off
/* ----------------------------------------------------------------------
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
@ -180,8 +181,8 @@ void WriteData::write(const std::string &file)
if (me == 0) {
fp = fopen(file.c_str(),"w");
if (fp == nullptr)
error->one(FLERR,fmt::format("Cannot open data file {}: {}",
file, utils::getsyserror()));
error->one(FLERR,"Cannot open data file {}: {}",
file, utils::getsyserror());
}
// proc 0 writes header, ntype-length arrays, force fields