jianmu
/
lammps
forked from lijiext/lammps
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5089 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2010-10-22 14:30:55 +00:00
parent a055b4b7ac
commit 594fab5262
1 changed files with 1 additions and 2 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

3
src/COLLOID/pair_colloid.cpp
View File

@ -467,7 +467,6 @@ double PairColloid::single(int i, int j, int itype, int jtype, double rsq,
break;
case SMALL_LARGE:
r = sqrt(rsq);
c2 = a2[itype][jtype];
K[1] = c2*c2;
K[2] = rsq;
@ -477,7 +476,7 @@ double PairColloid::single(int i, int j, int itype, int jtype, double rsq,
K[3] *= K[3]*K[3];
K[6] = K[3]*K[3];
fR = sigma3[itype][jtype]*a12[itype][jtype]*c2*K[1]/K[3];
fforce = 4.0/15.0*r*fR*factor_lj *
fforce = 4.0/15.0*fR*factor_lj *
(2.0*(K[1]+K[2])*(K[1]*(5.0*K[1]+22.0*K[2])+5.0*K[4]) *
sigma6[itype][jtype]/K[6] - 5.0)/K[0];
phi = 2.0/9.0*fR *