(8d99bf47) · Commits · 郑智淋 / lammps

src/compute_pressure.cpp

+2 −2

Original line number	Diff line number	Diff line
		@@ -285,9 +285,9 @@ void ComputePressure::virial_compute(int n, int ndiag)
		if (kspace_virial)
		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;
		}