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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4505 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2010-08-19 16:01:08 +00:00
parent ad1adc6474
commit 5ff00cfd0f
15 changed files with 118 additions and 8 deletions
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15
src/fix_setforce.cpp
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@ -76,13 +76,18 @@ FixSetForce::FixSetForce(LAMMPS *lmp, int narg, char **arg) :
// optional args
iregion = -1;
idregion = NULL;
int iarg = 6;
while (iarg < narg) {
if (strcmp(arg[iarg],"region") == 0) {
if (iarg+2 > narg) error->all("Illegal fix setforce command");
iregion = domain->find_region(arg[iarg+1]);
if (iregion == -1) error->all("Fix setforce region ID does not exist");
if (iregion == -1)
error->all("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");
}
@ -101,6 +106,7 @@ FixSetForce::~FixSetForce()
delete [] xstr;
delete [] ystr;
delete [] zstr;
delete [] idregion;
memory->destroy_2d_double_array(sforce);
}
@ -143,6 +149,13 @@ void FixSetForce::init()
else error->all("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 (xstyle == ATOM || ystyle == ATOM || zstyle == ATOM)
varflag = ATOM;
else if (xstyle == EQUAL || ystyle == EQUAL || zstyle == EQUAL)