(cf4e5e79) · Commits · 郑智淋 / lammps

src/DPD/pair_dpd.cpp

+2 −2

Original line number	Diff line number	Diff line
		@@ -149,7 +149,7 @@ void PairDPD::compute(int eflag, int vflag)
		}

		if (eflag) {
		evdwl = a0[itype][jtype] * r * (1.0 - 0.5*r/cut[itype][jtype]);
		evdwl = -a0[itype][jtype] * r * (1.0 - 0.5*r/cut[itype][jtype]);
		evdwl *= factor_dpd;
		}

		@@ -383,6 +383,6 @@ double PairDPD::single(int i, int j, int itype, int jtype, double rsq,
		wd = 1.0 - r/cut[itype][jtype];
		fforce = a0[itype][jtype]wd factor_dpd*rinv;

		phi = a0[itype][jtype] * r * (1.0 - 0.5*r/cut[itype][jtype]);
		phi = -a0[itype][jtype] * r * (1.0 - 0.5*r/cut[itype][jtype]);
		return factor_dpd*phi;
		}