tx258/lammps-gran-kokkos
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bugfix

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This commit is contained in:
Axel Kohlmeyer
2022-03-30 15:01:03 -04:00
parent c4729b39b4
commit f3fa04ae0a
2 changed files with 3 additions and 3 deletions
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2
src/dump_local.cpp
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@ -293,7 +293,7 @@ void DumpLocal::write_header(bigint ndump)
"{:>1.16e} {:>1.16e}\n",
boundstr,boxxlo,boxxhi,boxylo,boxyhi,boxzlo,boxzhi);
}
fmt::print(fp,"ITEM: {} {}\n", label, columns);
}
}

4
src/read_data.cpp
View File

@ -1128,8 +1128,8 @@ void ReadData::header(int firstpass)
} else if (utils::strmatch(line,"^\\s*\\f+\\s+\\f+\\s+\\f+\\s+xy\\s+xz\\s+yz\\s")) {
triclinic = 1;
xy = utils::numeric(FLERR, words[0], false, lmp);
xz = utils::numeric(FLERR, words[0], false, lmp);
yz = utils::numeric(FLERR, words[0], false, lmp);
xz = utils::numeric(FLERR, words[1], false, lmp);
yz = utils::numeric(FLERR, words[2], false, lmp);
} else break;
}