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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5041 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2010-10-14 15:22:56 +00:00
parent 6dd3d3e403
commit 93e85b54d6
1 changed files with 4 additions and 4 deletions
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8
src/DIPOLE/pair_dipole_cut.cpp
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@ -126,12 +126,12 @@ void PairDipoleCut::compute(int eflag, int vflag)
// atom can have both a charge and dipole // atom can have both a charge and dipole
// i,j = charge-charge, dipole-dipole, dipole-charge, or charge-dipole // i,j = charge-charge, dipole-dipole, dipole-charge, or charge-dipole
forcecoulx = forcecouly = forcecoulz = 0.0;
tixcoul = tiycoul = tizcoul = 0.0;
tjxcoul = tjycoul = tjzcoul = 0.0;
if (rsq < cut_coulsq[itype][jtype]) { if (rsq < cut_coulsq[itype][jtype]) {
forcecoulx = forcecouly = forcecoulz = 0.0;
tixcoul = tiycoul = tizcoul = 0.0;
tjxcoul = tjycoul = tjzcoul = 0.0;
if (qtmp != 0.0 && q[j] != 0.0) { if (qtmp != 0.0 && q[j] != 0.0) {
r3inv = r2inv*rinv; r3inv = r2inv*rinv;