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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13447 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2015-04-30 14:31:11 +00:00
parent b568417708
commit 8d99bf4779
1 changed files with 2 additions and 2 deletions
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4
src/compute_pressure.cpp
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@ -285,9 +285,9 @@ void ComputePressure::virial_compute(int n, int ndiag)
if (kspace_virial) if (kspace_virial)
for (i = 0; i < n; i++) virial[i] += kspace_virial[i]; for (i = 0; i < n; i++) virial[i] += kspace_virial[i];
// LJ long-range tail correction // LJ long-range tail correction, only if pair contributions are included
if (force->pair && force->pair->tail_flag) if (force->pair && pairflag && force->pair->tail_flag)
for (i = 0; i < ndiag; i++) virial[i] += force->pair->ptail * inv_volume; for (i = 0; i < ndiag; i++) virial[i] += force->pair->ptail * inv_volume;
} }