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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7185 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2011-10-25 15:05:23 +00:00
parent c6bbdcfbf2
commit 424fd114d7
5 changed files with 115 additions and 6 deletions
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18
src/read_restart.cpp
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@ -307,7 +307,8 @@ void ReadRestart::command(int narg, char **arg)
if (logfile) fprintf(logfile," " BIGINT_FORMAT " atoms\n",natoms);
}
if (natoms != atom->natoms) error->all(FLERR,"Did not assign all atoms correctly");
if (natoms != atom->natoms)
error->all(FLERR,"Did not assign all atoms correctly");
if (me == 0) {
if (atom->nbonds) {
@ -501,7 +502,8 @@ void ReadRestart::header()
int dimension = read_int();
domain->dimension = dimension;
if (domain->dimension == 2 && domain->zperiodic == 0)
error->all(FLERR,"Cannot run 2d simulation with nonperiodic Z dimension");
error->all(FLERR,
"Cannot run 2d simulation with nonperiodic Z dimension");
// read nprocs from restart file, warn if different
@ -531,14 +533,16 @@ void ReadRestart::header()
int newton_pair_file = read_int();
if (force->newton_pair != 1) {
if (newton_pair_file != force->newton_pair && me == 0)
error->warning(FLERR,"Restart file used different newton pair setting, "
error->warning(FLERR,
"Restart file used different newton pair setting, "
"using input script value");
}
} else if (flag == NEWTON_BOND) {
int newton_bond_file = read_int();
if (force->newton_bond != 1) {
if (newton_bond_file != force->newton_bond && me == 0)
error->warning(FLERR,"Restart file used different newton bond setting, "
error->warning(FLERR,
"Restart file used different newton bond setting, "
"using restart file value");
}
force->newton_bond = newton_bond_file;
@ -707,7 +711,8 @@ void ReadRestart::type_arrays()
atom->set_mass(mass);
delete [] mass;
} else error->all(FLERR,"Invalid flag in type arrays section of restart file");
} else error->all(FLERR,
"Invalid flag in type arrays section of restart file");
flag = read_int();
}
@ -778,7 +783,8 @@ void ReadRestart::force_fields()
delete [] style;
force->improper->read_restart(fp);
} else error->all(FLERR,"Invalid flag in force field section of restart file");
} else error->all(FLERR,
"Invalid flag in force field section of restart file");
flag = read_int();
}