fix missing support for nozforce in ewald/omp (ef8b6198) · Commits · 郑智淋 / lammps

src/USER-OMP/ewald_omp.cpp

+2 −2

Original line number	Diff line number	Diff line
		@@ -155,7 +155,7 @@ void EwaldOMP::compute(int eflag, int vflag)
		const double fac = qscale*q[i];
		f[i][0] += fac*ek[i][0];
		f[i][1] += fac*ek[i][1];
		f[i][2] += fac*ek[i][2];
		if (slabflag != 2) f[i][2] += fac*ek[i][2];
		}

		// global energy
		@@ -222,7 +222,7 @@ void EwaldOMP::compute(int eflag, int vflag)
		virial[5] = v5 * qscale;
		}

		if (slabflag) slabcorr();
		if (slabflag == 1) slabcorr();
		}

		/* ---------------------------------------------------------------------- */