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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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24
src/fix_setforce.cpp
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@ -34,7 +34,7 @@ enum{NONE,CONSTANT,EQUAL,ATOM};
FixSetForce::FixSetForce(LAMMPS *lmp, int narg, char **arg) :
Fix(lmp, narg, arg)
{
if (narg < 6) error->all("Illegal fix setforce command");
if (narg < 6) error->all(FLERR,"Illegal fix setforce command");
vector_flag = 1;
size_vector = 3;
@ -82,15 +82,15 @@ FixSetForce::FixSetForce(LAMMPS *lmp, int narg, char **arg) :
int iarg = 6;
while (iarg < narg) {
if (strcmp(arg[iarg],"region") == 0) {
if (iarg+2 > narg) error->all("Illegal fix setforce command");
if (iarg+2 > narg) error->all(FLERR,"Illegal fix setforce command");
iregion = domain->find_region(arg[iarg+1]);
if (iregion == -1)
error->all("Region ID for fix setforce does not exist");
error->all(FLERR,"Region ID for fix setforce does not exist");
int n = strlen(arg[iarg+1]) + 1;
idregion = new char[n];
strcpy(idregion,arg[iarg+1]);
iarg += 2;
} else error->all("Illegal fix setforce command");
} else error->all(FLERR,"Illegal fix setforce command");
}
force_flag = 0;
@ -130,31 +130,31 @@ void FixSetForce::init()
if (xstr) {
xvar = input->variable->find(xstr);
if (xvar < 0) error->all("Variable name for fix setforce does not exist");
if (xvar < 0) error->all(FLERR,"Variable name for fix setforce does not exist");
if (input->variable->equalstyle(xvar)) xstyle = EQUAL;
else if (input->variable->atomstyle(xvar)) xstyle = ATOM;
else error->all("Variable for fix setforce is invalid style");
else error->all(FLERR,"Variable for fix setforce is invalid style");
}
if (ystr) {
yvar = input->variable->find(ystr);
if (yvar < 0) error->all("Variable name for fix setforce does not exist");
if (yvar < 0) error->all(FLERR,"Variable name for fix setforce does not exist");
if (input->variable->equalstyle(yvar)) ystyle = EQUAL;
else if (input->variable->atomstyle(yvar)) ystyle = ATOM;
else error->all("Variable for fix setforce is invalid style");
else error->all(FLERR,"Variable for fix setforce is invalid style");
}
if (zstr) {
zvar = input->variable->find(zstr);
if (zvar < 0) error->all("Variable name for fix setforce does not exist");
if (zvar < 0) error->all(FLERR,"Variable name for fix setforce does not exist");
if (input->variable->equalstyle(zvar)) zstyle = EQUAL;
else if (input->variable->atomstyle(zvar)) zstyle = ATOM;
else error->all("Variable for fix setforce is invalid style");
else error->all(FLERR,"Variable for fix setforce is invalid style");
}
// set index and check validity of region
if (iregion >= 0) {
iregion = domain->find_region(idregion);
if (iregion == -1) error->all("Region ID for fix setforce does not exist");
if (iregion == -1) error->all(FLERR,"Region ID for fix setforce does not exist");
}
if (xstyle == ATOM || ystyle == ATOM || zstyle == ATOM)
@ -179,7 +179,7 @@ void FixSetForce::init()
if (zstyle == CONSTANT && zvalue != 0.0) flag = 1;
}
if (flag)
error->all("Cannot use non-zero forces in an energy minimization");
error->all(FLERR,"Cannot use non-zero forces in an energy minimization");
}
/* ---------------------------------------------------------------------- */