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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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@ -285,9 +285,9 @@ void ComputePressure::virial_compute(int n, int ndiag)
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if (kspace_virial)
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for (i = 0; i < n; i++) virial[i] += kspace_virial[i];
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// LJ long-range tail correction
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// LJ long-range tail correction, only if pair contributions are included
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if (force->pair && force->pair->tail_flag)
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if (force->pair && pairflag && force->pair->tail_flag)
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for (i = 0; i < ndiag; i++) virial[i] += force->pair->ptail * inv_volume;
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}
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