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lammps
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2760 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2009-04-15 15:17:44 +00:00
parent 4c8102c10f
commit 15e329b328
1 changed files with 36 additions and 9 deletions
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45
src/read_restart.cpp
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@ -372,7 +372,7 @@ void ReadRestart::header()
int flag = read_int();
while (flag >= 0) {
// check restart file version, compare to LAMMPS version
// check restart file version, warn if different
if (flag == VERSION) {
char *version = read_char();
@ -394,7 +394,7 @@ void ReadRestart::header()
} else if (flag == NTIMESTEP) {
update->ntimestep = read_int();
// set dimension from restart file, warn if different
// set dimension from restart file
} else if (flag == DIMENSION) {
int dimension = read_int();
@ -402,7 +402,7 @@ void ReadRestart::header()
if (domain->dimension == 2 && domain->zperiodic == 0)
error->all("Cannot run 2d simulation with nonperiodic Z dimension");
// read nprocs_file from restart file, warn if different
// read nprocs from restart file, warn if different
} else if (flag == NPROCS) {
nprocs_file = read_int();
@ -422,18 +422,30 @@ void ReadRestart::header()
pz != comm->user_procgrid[2]) && me == 0)
error->warning("Restart file used different 3d processor grid");
// don't set newton_pair, warn if different
// set newton_bond from restart file, warn if different
// don't set newton_pair, leave input script value unchanged
// set newton_bond from restart file
// warn if different and input script settings are not default
} else if (flag == NEWTON_PAIR) {
int newton_pair = read_int();
int newton_pair_file = read_int();
if (force->newton_pair != 1) {
if (newton_pair_file != force->newton_pair && me == 0)
error->warning("Restart file used different newton pair setting, "
"using input script value");
}
} else if (flag == NEWTON_BOND) {
int newton_bond = read_int();
force->newton_bond = newton_bond;
int newton_bond_file = read_int();
if (force->newton_bond != 1) {
if (newton_bond_file != force->newton_bond && me == 0)
error->warning("Restart file used different newton bond setting, "
"using restart file value");
}
force->newton_bond = newton_bond_file;
if (force->newton_pair || force->newton_bond) force->newton = 1;
else force->newton = 0;
// set boundary settings from restart file, warn if different
// set boundary settings from restart file
// warn if different and input script settings are not default
} else if (flag == XPERIODIC) {
xperiodic = read_int();
@ -454,6 +466,21 @@ void ReadRestart::header()
} else if (flag == BOUNDARY_21) {
boundary[2][1] = read_int();
if (domain->boundary[0][0] || domain->boundary[0][1] ||
domain->boundary[1][0] || domain->boundary[1][1] ||
domain->boundary[2][0] || domain->boundary[2][1]) {
if (boundary[0][0] != domain->boundary[0][0] ||
boundary[0][1] != domain->boundary[0][1] ||
boundary[1][0] != domain->boundary[1][0] ||
boundary[1][1] != domain->boundary[1][1] ||
boundary[2][0] != domain->boundary[2][0] ||
boundary[2][1] != domain->boundary[2][1]) {
if (me == 0)
error->warning("Restart file used different boundary settings, "
"using restart file values");
}
}
int flag = 0;
if ((xperiodic != domain->xperiodic || yperiodic != domain->yperiodic ||
zperiodic != domain->zperiodic)) flag = 1;