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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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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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6
src/MOLECULE/improper_harmonic.cpp
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@ -127,7 +127,7 @@ void ImproperHarmonic::compute(int eflag, int vflag)
"Improper problem: %d " BIGINT_FORMAT " %d %d %d %d",
me,update->ntimestep,
atom->tag[i1],atom->tag[i2],atom->tag[i3],atom->tag[i4]);
error->warning(str,0);
error->warning(FLERR,str,0);
fprintf(screen," 1st atom: %d %g %g %g\n",
me,x[i1][0],x[i1][1],x[i1][2]);
fprintf(screen," 2nd atom: %d %g %g %g\n",
@ -234,7 +234,7 @@ void ImproperHarmonic::allocate()
void ImproperHarmonic::coeff(int narg, char **arg)
{
if (narg != 3) error->all("Incorrect args for improper coefficients");
if (narg != 3) error->all(FLERR,"Incorrect args for improper coefficients");
if (!allocated) allocate();
int ilo,ihi;
@ -253,7 +253,7 @@ void ImproperHarmonic::coeff(int narg, char **arg)
count++;
}
if (count == 0) error->all("Incorrect args for improper coefficients");
if (count == 0) error->all(FLERR,"Incorrect args for improper coefficients");
}
/* ----------------------------------------------------------------------