change error-all to error-one (e629733d) · Commits · 郑智淋 / lammps

src/USER-MISC/pair_ilp_graphene_hbn.cpp

+4 −4

Original line number	Diff line number	Diff line
		@@ -448,7 +448,7 @@ void PairILPGrapheneHBN::calc_normal()
		// the magnitude of the normal vector
		nn2 = n1[0]n1[0] + n1[1]n1[1] + n1[2]*n1[2];
		nn = sqrt(nn2);
		if (nn == 0) error->all(FLERR,"The magnitude of the normal vector is zero");
		if (nn == 0) error->one(FLERR,"The magnitude of the normal vector is zero");
		// the unit normal vector
		normal[i][0] = n1[0]/nn;
		normal[i][1] = n1[1]/nn;
		@@ -591,7 +591,7 @@ void PairILPGrapheneHBN::calc_normal()
		// the magnitude of the normal vector
		nn2 = n1[0]n1[0] + n1[1]n1[1] + n1[2]*n1[2];
		nn = sqrt(nn2);
		if (nn == 0) error->all(FLERR,"The magnitude of the normal vector is zero");
		if (nn == 0) error->one(FLERR,"The magnitude of the normal vector is zero");
		// the unit normal vector
		normal[i][0] = n1[0]/nn;
		normal[i][1] = n1[1]/nn;
		@@ -631,7 +631,7 @@ void PairILPGrapheneHBN::calc_normal()
		}
		}
		else {
		error->all(FLERR,"There are too many neighbors for calculating normals");
		error->one(FLERR,"There are too many neighbors for calculating normals");
		}

		//##############################################################################################
		@@ -738,7 +738,7 @@ void PairILPGrapheneHBN::ILP_neigh()

		ILP_firstneigh[i] = neighptr;
		ILP_numneigh[i] = n;
		if (n > 3) error->all(FLERR,"There are too many neighbors for some atoms, please check your configuration");
		if (n > 3) error->one(FLERR,"There are too many neighbors for some atoms, please check your configuration");
		ipage->vgot(n);
		if (ipage->status())
		error->one(FLERR,"Neighbor list overflow, boost neigh_modify one");

src/USER-MISC/pair_kolmogorov_crespi_full.cpp

+4 −4

Original line number	Diff line number	Diff line
		@@ -446,7 +446,7 @@ void PairKolmogorovCrespiFull::calc_normal()
		// the magnitude of the normal vector
		nn2 = n1[0]n1[0] + n1[1]n1[1] + n1[2]*n1[2];
		nn = sqrt(nn2);
		if (nn == 0) error->all(FLERR,"The magnitude of the normal vector is zero");
		if (nn == 0) error->one(FLERR,"The magnitude of the normal vector is zero");
		// the unit normal vector
		normal[i][0] = n1[0]/nn;
		normal[i][1] = n1[1]/nn;
		@@ -594,7 +594,7 @@ void PairKolmogorovCrespiFull::calc_normal()
		// the magnitude of the normal vector
		nn2 = n1[0]n1[0] + n1[1]n1[1] + n1[2]*n1[2];
		nn = sqrt(nn2);
		if (nn == 0) error->all(FLERR,"The magnitude of the normal vector is zero");
		if (nn == 0) error->one(FLERR,"The magnitude of the normal vector is zero");
		// the unit normal vector
		normal[i][0] = n1[0]/nn;
		normal[i][1] = n1[1]/nn;
		@@ -634,7 +634,7 @@ void PairKolmogorovCrespiFull::calc_normal()
		}
		}
		else {
		error->all(FLERR,"There are too many neighbors for calculating normals");
		error->one(FLERR,"There are too many neighbors for calculating normals");
		}

		//##############################################################################################
		@@ -742,7 +742,7 @@ void PairKolmogorovCrespiFull::KC_neigh()

		KC_firstneigh[i] = neighptr;
		KC_numneigh[i] = n;
		if (n > 3) error->all(FLERR,"There are too many neighbors for some atoms, please check your configuration");
		if (n > 3) error->one(FLERR,"There are too many neighbors for some atoms, please check your configuration");
		ipage->vgot(n);
		if (ipage->status())
		error->one(FLERR,"Neighbor list overflow, boost neigh_modify one");

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