git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7003 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp
2011-09-23 18:06:55 +00:00
parent 2d99de131d
commit 19e8c92a90
468 changed files with 4628 additions and 5204 deletions

View File

@ -46,9 +46,6 @@ using namespace LAMMPS_NS;
#define BUFFACTOR 1.5
#define BUFMIN 1000
#define BUFEXTRA 1000
#define MIN(a,b) ((a) < (b) ? (a) : (b))
#define MAX(a,b) ((a) > (b) ? (a) : (b))
#define BIG 1.0e20
enum{SINGLE,MULTI};
@ -138,9 +135,9 @@ void Comm::set_procs()
procs2box();
if (procgrid[0]*procgrid[1]*procgrid[2] != nprocs)
error->all("Bad grid of processors");
error->all(FLERR,"Bad grid of processors");
if (domain->dimension == 2 && procgrid[2] != 1)
error->all("Processor count in z must be 1 for 2d simulation");
error->all(FLERR,"Processor count in z must be 1 for 2d simulation");
if (grid2proc) memory->destroy(grid2proc);
memory->create(grid2proc,procgrid[0],procgrid[1],procgrid[2],
@ -1341,36 +1338,36 @@ void Comm::free_multi()
void Comm::set(int narg, char **arg)
{
if (narg < 1) error->all("Illegal communicate command");
if (narg < 1) error->all(FLERR,"Illegal communicate command");
if (strcmp(arg[0],"single") == 0) style = SINGLE;
else if (strcmp(arg[0],"multi") == 0) style = MULTI;
else error->all("Illegal communicate command");
else error->all(FLERR,"Illegal communicate command");
int iarg = 1;
while (iarg < narg) {
if (strcmp(arg[iarg],"group") == 0) {
if (iarg+2 > narg) error->all("Illegal communicate command");
if (iarg+2 > narg) error->all(FLERR,"Illegal communicate command");
bordergroup = group->find(arg[iarg+1]);
if (bordergroup < 0)
error->all("Invalid group in communicate command");
error->all(FLERR,"Invalid group in communicate command");
if (bordergroup && (atom->firstgroupname == NULL ||
strcmp(arg[iarg+1],atom->firstgroupname) != 0))
error->all("Communicate group != atom_modify first group");
error->all(FLERR,"Communicate group != atom_modify first group");
iarg += 2;
} else if (strcmp(arg[iarg],"cutoff") == 0) {
if (iarg+2 > narg) error->all("Illegal communicate command");
if (iarg+2 > narg) error->all(FLERR,"Illegal communicate command");
cutghostuser = atof(arg[iarg+1]);
if (cutghostuser < 0.0)
error->all("Invalid cutoff in communicate command");
error->all(FLERR,"Invalid cutoff in communicate command");
iarg += 2;
} else if (strcmp(arg[iarg],"vel") == 0) {
if (iarg+2 > narg) error->all("Illegal communicate command");
if (iarg+2 > narg) error->all(FLERR,"Illegal communicate command");
if (strcmp(arg[iarg+1],"yes") == 0) ghost_velocity = 1;
else if (strcmp(arg[iarg+1],"no") == 0) ghost_velocity = 0;
else error->all("Illegal communicate command");
else error->all(FLERR,"Illegal communicate command");
iarg += 2;
} else error->all("Illegal communicate command");
} else error->all(FLERR,"Illegal communicate command");
}
}