ICODE-ADC/lammps
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add a hidden "noinit" flag to write_dump that works the same as for write_data

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This commit is contained in:
Axel Kohlmeyer
2024-08-05 19:31:21 -04:00
parent d9e0847c3b
commit 89debb2141
2 changed files with 14 additions and 9 deletions
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9
src/lammps.cpp
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@ -382,8 +382,7 @@ LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator) :
if (iarg+3 > narg)
error->universe_all(FLERR,"Invalid command-line argument");
if (restart2dump)
error->universe_all(FLERR,
"Cannot use both -restart2data and -restart2dump");
error->universe_all(FLERR, "Cannot use both -restart2data and -restart2dump");
restart2data = 1;
restartfile = arg[iarg+1];
inflag = -1; // skip inflag check
@ -405,8 +404,7 @@ LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator) :
if (iarg+3 > narg)
error->universe_all(FLERR,"Invalid command-line argument");
if (restart2data)
error->universe_all(FLERR,
"Cannot use both -restart2data and -restart2dump");
error->universe_all(FLERR, "Cannot use both -restart2data and -restart2dump");
restart2dump = 1;
restartfile = arg[iarg+1];
inflag = -1; // skip inflag check
@ -728,7 +726,6 @@ LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator) :
// if either restart conversion option was used, invoke 2 commands and quit
// add args between wfirst and wlast to write_data or write_data command
// add "noinit" to write_data to prevent a system init
// write_dump will just give a warning message about no init
if (restart2data || restart2dump) {
std::string cmd = fmt::format("read_restart {}",restartfile);
@ -738,7 +735,7 @@ LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator) :
else cmd = "write_dump";
for (iarg = wfirst; iarg < wlast; iarg++)
cmd += fmt::format(" {}", arg[iarg]);
if (restart2data) cmd += " noinit";
cmd += " noinit";
input->one(cmd);
error->done(0);
}