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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4109 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2010-05-07 15:26:16 +00:00
parent 501157da07
commit 6a1e42fb41
1 changed files with 2 additions and 2 deletions
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4
src/pair_dpd.cpp
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@ -149,8 +149,8 @@ void PairDPD::compute(int eflag, int vflag)
} }
if (eflag) { if (eflag) {
// unshifted eng // unshifted eng of conservative term:
//evdwl = -a0[itype][jtype]*r * (1.0-0.5*r/cut[itype][jtype]); // evdwl = -a0[itype][jtype]*r * (1.0-0.5*r/cut[itype][jtype]);
// eng shifted to 0.0 at cutoff // eng shifted to 0.0 at cutoff
evdwl = 0.5*a0[itype][jtype]*cut[itype][jtype] * wd*wd; evdwl = 0.5*a0[itype][jtype]*cut[itype][jtype] * wd*wd;
evdwl *= factor_dpd; evdwl *= factor_dpd;