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

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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
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50
src/fix_indent.cpp
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@ -40,7 +40,7 @@ enum{INSIDE,OUTSIDE};
FixIndent::FixIndent(LAMMPS *lmp, int narg, char **arg) :
Fix(lmp, narg, arg)
{
if (narg < 4) error->all("Illegal fix indent command");
if (narg < 4) error->all(FLERR,"Illegal fix indent command");
scalar_flag = 1;
vector_flag = 1;
@ -59,7 +59,7 @@ FixIndent::FixIndent(LAMMPS *lmp, int narg, char **arg) :
// setup scaling
if (scaleflag && domain->lattice == NULL)
error->all("Use of fix indent with undefined lattice");
error->all(FLERR,"Use of fix indent with undefined lattice");
double xscale,yscale,zscale;
if (scaleflag) {
@ -80,7 +80,7 @@ FixIndent::FixIndent(LAMMPS *lmp, int narg, char **arg) :
if (cdim == 0 && !pstr) pvalue *= xscale;
else if (cdim == 1 && !pstr) pvalue *= yscale;
else if (cdim == 2 && !pstr) pvalue *= zscale;
} else error->all("Illegal fix indent command");
} else error->all(FLERR,"Illegal fix indent command");
varflag = 0;
if (xstr || ystr || zstr || rstr || pstr) varflag = 1;
@ -118,33 +118,33 @@ void FixIndent::init()
{
if (xstr) {
xvar = input->variable->find(xstr);
if (xvar < 0) error->all("Variable name for fix indent does not exist");
if (xvar < 0) error->all(FLERR,"Variable name for fix indent does not exist");
if (!input->variable->equalstyle(xvar))
error->all("Variable for fix indent is invalid style");
error->all(FLERR,"Variable for fix indent is invalid style");
}
if (ystr) {
yvar = input->variable->find(ystr);
if (yvar < 0) error->all("Variable name for fix indent does not exist");
if (yvar < 0) error->all(FLERR,"Variable name for fix indent does not exist");
if (!input->variable->equalstyle(yvar))
error->all("Variable for fix indent is not equal style");
error->all(FLERR,"Variable for fix indent is not equal style");
}
if (zstr) {
zvar = input->variable->find(zstr);
if (zvar < 0) error->all("Variable name for fix indent does not exist");
if (zvar < 0) error->all(FLERR,"Variable name for fix indent does not exist");
if (!input->variable->equalstyle(zvar))
error->all("Variable for fix indent is not equal style");
error->all(FLERR,"Variable for fix indent is not equal style");
}
if (rstr) {
rvar = input->variable->find(rstr);
if (rvar < 0) error->all("Variable name for fix indent does not exist");
if (rvar < 0) error->all(FLERR,"Variable name for fix indent does not exist");
if (!input->variable->equalstyle(rvar))
error->all("Variable for fix indent is not equal style");
error->all(FLERR,"Variable for fix indent is not equal style");
}
if (pstr) {
pvar = input->variable->find(pstr);
if (pvar < 0) error->all("Variable name for fix indent does not exist");
if (pvar < 0) error->all(FLERR,"Variable name for fix indent does not exist");
if (!input->variable->equalstyle(pvar))
error->all("Variable for fix indent is not equal style");
error->all(FLERR,"Variable for fix indent is not equal style");
}
if (strstr(update->integrate_style,"respa"))
@ -396,7 +396,7 @@ double FixIndent::compute_vector(int n)
void FixIndent::options(int narg, char **arg)
{
if (narg < 0) error->all("Illegal fix indent command");
if (narg < 0) error->all(FLERR,"Illegal fix indent command");
istyle = NONE;
xstr = ystr = zstr = rstr = pstr = NULL;
@ -407,7 +407,7 @@ void FixIndent::options(int narg, char **arg)
int iarg = 0;
while (iarg < narg) {
if (strcmp(arg[iarg],"sphere") == 0) {
if (iarg+5 > narg) error->all("Illegal fix indent command");
if (iarg+5 > narg) error->all(FLERR,"Illegal fix indent command");
if (strstr(arg[iarg+1],"v_") == arg[iarg+1]) {
int n = strlen(&arg[iarg+1][2]) + 1;
@ -434,7 +434,7 @@ void FixIndent::options(int narg, char **arg)
iarg += 5;
} else if (strcmp(arg[iarg],"cylinder") == 0) {
if (iarg+5 > narg) error->all("Illegal fix indent command");
if (iarg+5 > narg) error->all(FLERR,"Illegal fix indent command");
if (strcmp(arg[iarg+1],"x") == 0) {
cdim = 0;
@ -472,7 +472,7 @@ void FixIndent::options(int narg, char **arg)
ystr = new char[n];
strcpy(ystr,&arg[iarg+3][2]);
} else yvalue = atof(arg[iarg+3]);
} else error->all("Illegal fix indent command");
} else error->all(FLERR,"Illegal fix indent command");
if (strstr(arg[iarg+4],"v_") == arg[iarg+4]) {
int n = strlen(&arg[iarg+4][2]) + 1;
@ -484,11 +484,11 @@ void FixIndent::options(int narg, char **arg)
iarg += 5;
} else if (strcmp(arg[iarg],"plane") == 0) {
if (iarg+4 > narg) error->all("Illegal fix indent command");
if (iarg+4 > narg) error->all(FLERR,"Illegal fix indent command");
if (strcmp(arg[iarg+1],"x") == 0) cdim = 0;
else if (strcmp(arg[iarg+1],"y") == 0) cdim = 1;
else if (strcmp(arg[iarg+1],"z") == 0) cdim = 2;
else error->all("Illegal fix indent command");
else error->all(FLERR,"Illegal fix indent command");
if (strstr(arg[iarg+2],"v_") == arg[iarg+2]) {
int n = strlen(&arg[iarg+2][2]) + 1;
@ -498,23 +498,23 @@ void FixIndent::options(int narg, char **arg)
if (strcmp(arg[iarg+3],"lo") == 0) planeside = -1;
else if (strcmp(arg[iarg+3],"hi") == 0) planeside = 1;
else error->all("Illegal fix indent command");
else error->all(FLERR,"Illegal fix indent command");
istyle = PLANE;
iarg += 4;
} else if (strcmp(arg[iarg],"units") == 0) {
if (iarg+2 > narg) error->all("Illegal fix indent command");
if (iarg+2 > narg) error->all(FLERR,"Illegal fix indent 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 indent command");
else error->all(FLERR,"Illegal fix indent command");
iarg += 2;
} else if (strcmp(arg[iarg],"side") == 0) {
if (iarg+2 > narg) error->all("Illegal fix indent command");
if (iarg+2 > narg) error->all(FLERR,"Illegal fix indent command");
if (strcmp(arg[iarg+1],"in") == 0) side = INSIDE;
else if (strcmp(arg[iarg+1],"out") == 0) side = OUTSIDE;
else error->all("Illegal fix indent command");
else error->all(FLERR,"Illegal fix indent command");
iarg += 2;
} else error->all("Illegal fix indent command");
} else error->all(FLERR,"Illegal fix indent command");
}
}