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Merge branch 'time-dumps2' of github.com:lammps/lammps into time-dumps2

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# Conflicts:
#	src/dump_xyz.cpp
This commit is contained in:
Axel Kohlmeyer
2021-12-21 15:56:19 -05:00
parent cc4d7215f1 cad9f6bf6e
commit 6f6b384c55
3 changed files with 16 additions and 16 deletions
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8
src/dump_xyz.cpp
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@ -130,10 +130,10 @@ int DumpXYZ::modify_param(int narg, char **arg)
void DumpXYZ::write_header(bigint n)
{
if (me == 0) {
if (time_flag && (update->whichflag == 1))
fmt::print(fp,"{}\n Atoms. Timestep: {} Time: {:.6f}\n", update->ntimestep, update->atime);
else
fmt::print(fp,"{}\n Atoms. Timestep: {}\n", update->ntimestep);
if (time_flag && (update->whichflag == 1)) {
double tcurrent = update->atime + (update->ntimestep-update->atimestep) + update->dt;
fmt::print(fp,"{}\n Atoms. Timestep: {} Time: {:.6f}\n", n, update->ntimestep, tcurrent);
} else fmt::print(fp,"{}\n Atoms. Timestep: {}\n", n, update->ntimestep);
}
}