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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4108 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2010-05-07 15:25:32 +00:00
parent c5ea28b372
commit 501157da07
1 changed files with 4 additions and 1 deletions
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5
src/pair_dpd.cpp
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@ -149,7 +149,10 @@ void PairDPD::compute(int eflag, int vflag)
}
if (eflag) {
evdwl = -a0[itype][jtype] * r * (1.0 - 0.5*r/cut[itype][jtype]);
// unshifted eng
//evdwl = -a0[itype][jtype]*r * (1.0-0.5*r/cut[itype][jtype]);
// eng shifted to 0.0 at cutoff
evdwl = 0.5*a0[itype][jtype]*cut[itype][jtype] * wd*wd;
evdwl *= factor_dpd;
}