From 9c129d3a347bdbd4829768bc70b0c74ba68d2caf Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Sat, 24 Oct 2020 01:05:11 -0400 Subject: [PATCH] update output of read_restart to make read_data and signify if atom style template is used --- src/read_restart.cpp | 40 +++++++++++++++++++++++++++------------- 1 file changed, 27 insertions(+), 13 deletions(-) diff --git a/src/read_restart.cpp b/src/read_restart.cpp index 2c8bba115e..9e8fbce91c 100644 --- a/src/read_restart.cpp +++ b/src/read_restart.cpp @@ -472,19 +472,33 @@ void ReadRestart::command(int narg, char **arg) if (natoms != atom->natoms) error->all(FLERR,"Did not assign all restart atoms correctly"); - if (me == 0) { - if (atom->nbonds) { - utils::logmesg(lmp,fmt::format(" {} bonds\n",atom->nbonds)); - } - if (atom->nangles) { - utils::logmesg(lmp,fmt::format(" {} angles\n",atom->nangles)); - } - if (atom->ndihedrals) { - utils::logmesg(lmp,fmt::format(" {} dihedrals\n",atom->ndihedrals)); - } - if (atom->nimpropers) { - utils::logmesg(lmp,fmt::format(" {} impropers\n",atom->nimpropers)); - } + if ((atom->molecular == Atom::TEMPLATE) && (me == 0)) { + std::string mesg; + + if (atom->nbonds) + mesg += fmt::format(" {} template bonds\n",atom->nbonds); + if (atom->nangles) + mesg += fmt::format(" {} template angles\n",atom->nangles); + if (atom->ndihedrals) + mesg += fmt::format(" {} template dihedrals\n",atom->ndihedrals); + if (atom->nimpropers) + mesg += fmt::format(" {} template impropers\n",atom->nimpropers); + + utils::logmesg(lmp,mesg); + } + + if ((atom->molecular == Atom::MOLECULAR) && (me == 0)) { + std::string mesg; + if (atom->nbonds) + mesg += fmt::format(" {} bonds\n",atom->nbonds); + if (atom->nangles) + mesg += fmt::format(" {} angles\n",atom->nangles); + if (atom->ndihedrals) + mesg += fmt::format(" {} dihedrals\n",atom->ndihedrals); + if (atom->nimpropers) + mesg += fmt::format(" {} impropers\n",atom->nimpropers); + + utils::logmesg(lmp,mesg); } // check that atom IDs are valid