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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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21
src/fix_spring.cpp
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@ -30,9 +30,6 @@ using namespace LAMMPS_NS;
#define SMALL 1.0e-10
#define MIN(A,B) ((A) < (B)) ? (A) : (B)
#define MAX(A,B) ((A) > (B)) ? (A) : (B)
enum{TETHER,COUPLE};
/* ---------------------------------------------------------------------- */
@ -40,7 +37,7 @@ enum{TETHER,COUPLE};
FixSpring::FixSpring(LAMMPS *lmp, int narg, char **arg) :
Fix(lmp, narg, arg)
{
if (narg < 9) error->all("Illegal fix spring command");
if (narg < 9) error->all(FLERR,"Illegal fix spring command");
scalar_flag = 1;
vector_flag = 1;
@ -52,7 +49,7 @@ FixSpring::FixSpring(LAMMPS *lmp, int narg, char **arg) :
group2 = NULL;
if (strcmp(arg[3],"tether") == 0) {
if (narg != 9) error->all("Illegal fix spring command");
if (narg != 9) error->all(FLERR,"Illegal fix spring command");
styleflag = TETHER;
k_spring = atof(arg[4]);
xflag = yflag = zflag = 1;
@ -63,10 +60,10 @@ FixSpring::FixSpring(LAMMPS *lmp, int narg, char **arg) :
if (strcmp(arg[7],"NULL") == 0) zflag = 0;
else zc = atof(arg[7]);
r0 = atof(arg[8]);
if (r0 < 0) error->all("R0 < 0 for fix spring command");
if (r0 < 0) error->all(FLERR,"R0 < 0 for fix spring command");
} else if (strcmp(arg[3],"couple") == 0) {
if (narg != 10) error->all("Illegal fix spring command");
if (narg != 10) error->all(FLERR,"Illegal fix spring command");
styleflag = COUPLE;
int n = strlen(arg[4]) + 1;
@ -74,9 +71,9 @@ FixSpring::FixSpring(LAMMPS *lmp, int narg, char **arg) :
strcpy(group2,arg[4]);
igroup2 = group->find(arg[4]);
if (igroup2 == -1)
error->all("Fix spring couple group ID does not exist");
error->all(FLERR,"Fix spring couple group ID does not exist");
if (igroup2 == igroup)
error->all("Two groups cannot be the same in fix spring couple");
error->all(FLERR,"Two groups cannot be the same in fix spring couple");
group2bit = group->bitmask[igroup2];
k_spring = atof(arg[5]);
@ -88,9 +85,9 @@ FixSpring::FixSpring(LAMMPS *lmp, int narg, char **arg) :
if (strcmp(arg[8],"NULL") == 0) zflag = 0;
else zc = atof(arg[8]);
r0 = atof(arg[9]);
if (r0 < 0) error->all("R0 < 0 for fix spring command");
if (r0 < 0) error->all(FLERR,"R0 < 0 for fix spring command");
} else error->all("Illegal fix spring command");
} else error->all(FLERR,"Illegal fix spring command");
ftotal[0] = ftotal[1] = ftotal[2] = ftotal[3] = 0.0;
}
@ -123,7 +120,7 @@ void FixSpring::init()
if (group2) {
igroup2 = group->find(group2);
if (igroup2 == -1)
error->all("Fix spring couple group ID does not exist");
error->all(FLERR,"Fix spring couple group ID does not exist");
group2bit = group->bitmask[igroup2];
}