ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

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

Browse Source
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
Download Patch File Download Diff File Expand all files Collapse all files

48
src/fix_deposit.cpp
View File

@ -36,7 +36,7 @@ using namespace LAMMPS_NS;
FixDeposit::FixDeposit(LAMMPS *lmp, int narg, char **arg) :
Fix(lmp, narg, arg)
{
if (narg < 7) error->all("Illegal fix deposit command");
if (narg < 7) error->all(FLERR,"Illegal fix deposit command");
restart_global = 1;
time_depend = 1;
@ -48,7 +48,7 @@ FixDeposit::FixDeposit(LAMMPS *lmp, int narg, char **arg) :
nfreq = atoi(arg[5]);
seed = atoi(arg[6]);
if (seed <= 0) error->all("Illegal fix deposit command");
if (seed <= 0) error->all(FLERR,"Illegal fix deposit command");
// set defaults
@ -68,11 +68,11 @@ FixDeposit::FixDeposit(LAMMPS *lmp, int narg, char **arg) :
// error checks on region and its extent being inside simulation box
if (iregion == -1) error->all("Must specify a region in fix deposit");
if (iregion == -1) error->all(FLERR,"Must specify a region in fix deposit");
if (domain->regions[iregion]->bboxflag == 0)
error->all("Fix deposit region does not support a bounding box");
error->all(FLERR,"Fix deposit region does not support a bounding box");
if (domain->regions[iregion]->dynamic_check())
error->all("Fix deposit region cannot be dynamic");
error->all(FLERR,"Fix deposit region cannot be dynamic");
xlo = domain->regions[iregion]->extent_xlo;
xhi = domain->regions[iregion]->extent_xhi;
@ -85,18 +85,18 @@ FixDeposit::FixDeposit(LAMMPS *lmp, int narg, char **arg) :
if (xlo < domain->boxlo[0] || xhi > domain->boxhi[0] ||
ylo < domain->boxlo[1] || yhi > domain->boxhi[1] ||
zlo < domain->boxlo[2] || zhi > domain->boxhi[2])
error->all("Deposition region extends outside simulation box");
error->all(FLERR,"Deposition region extends outside simulation box");
} else {
if (xlo < domain->boxlo_bound[0] || xhi > domain->boxhi_bound[0] ||
ylo < domain->boxlo_bound[1] || yhi > domain->boxhi_bound[1] ||
zlo < domain->boxlo_bound[2] || zhi > domain->boxhi_bound[2])
error->all("Deposition region extends outside simulation box");
error->all(FLERR,"Deposition region extends outside simulation box");
}
// setup scaling
if (scaleflag && domain->lattice == NULL)
error->all("Use of fix deposit with undefined lattice");
error->all(FLERR,"Use of fix deposit with undefined lattice");
double xscale,yscale,zscale;
if (scaleflag) {
@ -162,7 +162,7 @@ void FixDeposit::init()
// set index and check validity of region
iregion = domain->find_region(idregion);
if (iregion == -1) error->all("Region ID for fix deposit does not exist");
if (iregion == -1) error->all(FLERR,"Region ID for fix deposit does not exist");
}
/* ----------------------------------------------------------------------
@ -323,7 +323,7 @@ void FixDeposit::pre_exchange()
// warn if not successful b/c too many attempts or no proc owned particle
if (!success && comm->me == 0)
error->warning("Particle deposition was unsuccessful",0);
error->warning(FLERR,"Particle deposition was unsuccessful",0);
// reset global natoms
// set tag # of new particle beyond all previous atoms
@ -356,28 +356,28 @@ void FixDeposit::pre_exchange()
void FixDeposit::options(int narg, char **arg)
{
if (narg < 0) error->all("Illegal fix indent command");
if (narg < 0) error->all(FLERR,"Illegal fix indent command");
int iarg = 0;
while (iarg < narg) {
if (strcmp(arg[iarg],"region") == 0) {
if (iarg+2 > narg) error->all("Illegal fix deposit command");
if (iarg+2 > narg) error->all(FLERR,"Illegal fix deposit command");
iregion = domain->find_region(arg[iarg+1]);
if (iregion == -1)
error->all("Region ID for fix deposit does not exist");
error->all(FLERR,"Region ID for fix deposit does not exist");
int n = strlen(arg[iarg+1]) + 1;
idregion = new char[n];
strcpy(idregion,arg[iarg+1]);
iarg += 2;
} else if (strcmp(arg[iarg],"global") == 0) {
if (iarg+3 > narg) error->all("Illegal fix deposit command");
if (iarg+3 > narg) error->all(FLERR,"Illegal fix deposit command");
globalflag = 1;
localflag = 0;
lo = atof(arg[iarg+1]);
hi = atof(arg[iarg+2]);
iarg += 3;
} else if (strcmp(arg[iarg],"local") == 0) {
if (iarg+4 > narg) error->all("Illegal fix deposit command");
if (iarg+4 > narg) error->all(FLERR,"Illegal fix deposit command");
localflag = 1;
globalflag = 0;
lo = atof(arg[iarg+1]);
@ -385,40 +385,40 @@ void FixDeposit::options(int narg, char **arg)
deltasq = atof(arg[iarg+3])*atof(arg[iarg+3]);
iarg += 4;
} else if (strcmp(arg[iarg],"near") == 0) {
if (iarg+2 > narg) error->all("Illegal fix deposit command");
if (iarg+2 > narg) error->all(FLERR,"Illegal fix deposit command");
nearsq = atof(arg[iarg+1])*atof(arg[iarg+1]);
iarg += 2;
} else if (strcmp(arg[iarg],"attempt") == 0) {
if (iarg+2 > narg) error->all("Illegal fix deposit command");
if (iarg+2 > narg) error->all(FLERR,"Illegal fix deposit command");
maxattempt = atoi(arg[iarg+1]);
iarg += 2;
} else if (strcmp(arg[iarg],"rate") == 0) {
if (iarg+2 > narg) error->all("Illegal fix deposit command");
if (iarg+2 > narg) error->all(FLERR,"Illegal fix deposit command");
rateflag = 1;
rate = atof(arg[iarg+1]);
iarg += 2;
} else if (strcmp(arg[iarg],"vx") == 0) {
if (iarg+3 > narg) error->all("Illegal fix deposit command");
if (iarg+3 > narg) error->all(FLERR,"Illegal fix deposit command");
vxlo = atof(arg[iarg+1]);
vxhi = atof(arg[iarg+2]);
iarg += 3;
} else if (strcmp(arg[iarg],"vy") == 0) {
if (iarg+3 > narg) error->all("Illegal fix deposit command");
if (iarg+3 > narg) error->all(FLERR,"Illegal fix deposit command");
vylo = atof(arg[iarg+1]);
vyhi = atof(arg[iarg+2]);
iarg += 3;
} else if (strcmp(arg[iarg],"vz") == 0) {
if (iarg+3 > narg) error->all("Illegal fix deposit command");
if (iarg+3 > narg) error->all(FLERR,"Illegal fix deposit command");
vzlo = atof(arg[iarg+1]);
vzhi = atof(arg[iarg+2]);
iarg += 3;
} else if (strcmp(arg[iarg],"units") == 0) {
if (iarg+2 > narg) error->all("Illegal fix deposit command");
if (iarg+2 > narg) error->all(FLERR,"Illegal fix deposit command");
if (strcmp(arg[iarg+1],"box") == 0) scaleflag = 0;
else if (strcmp(arg[iarg+1],"lattice") == 0) scaleflag = 1;
else error->all("Illegal fix deposit command");
else error->all(FLERR,"Illegal fix deposit command");
iarg += 2;
} else error->all("Illegal fix deposit command");
} else error->all(FLERR,"Illegal fix deposit command");
}
}