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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4057 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2010-04-28 14:37:28 +00:00
parent 601ecc9b25
commit 0008ffd771
1 changed files with 2 additions and 0 deletions
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2
src/COLLOID/pair_colloid.cpp
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@ -148,6 +148,7 @@ void PairColloid::compute(int eflag, int vflag)
evdwl = 2.0/9.0*fR *
(1.0-(K[1]*(K[1]*(K[1]/3.0+3.0*K[2])+4.2*K[4])+K[2]*K[4]) *
sigma6[itype][jtype]/K[6]) - offset[itype][jtype];
if (rsq <= K[1]) error->one("Overlapping small/large in pair colloid");
break;
case LARGE_LARGE:
@ -185,6 +186,7 @@ void PairColloid::compute(int eflag, int vflag)
if (eflag)
evdwl += a12[itype][jtype]/6.0 *
(2.0*K[0]*(K[7]+K[8])-log(K[8]/K[7])) - offset[itype][jtype];
if (r <= K[1]) error->one("Overlapping large/large in pair colloid");
break;
}