Merge branch 'neigh-identical-check' into couple-simple (709ce8a2) · Commits · 郑智淋 / lammps

src/create_bonds.cpp

+3 −9

Original line number	Diff line number	Diff line
		@@ -306,12 +306,6 @@ void CreateBonds::many()
		nadd_bonds,atom->nbonds);
		}
		}

		// trigger clearing the list of available neighbor list requests
		// and a full rebuild of them during the next run setup
		// otherwise the request from this command may linger around

		neighbor->init();
		}

		/* ---------------------------------------------------------------------- */
		@@ -344,7 +338,7 @@ void CreateBonds::single_bond()
		bond_atom[m][num_bond[m]] = batom2;
		num_bond[m]++;
		}
		++atom->nbonds;
		atom->nbonds++;

		if (force->newton_bond) return;

		@@ -392,7 +386,7 @@ void CreateBonds::single_angle()
		angle_atom3[m][num_angle[m]] = aatom3;
		num_angle[m]++;
		}
		++atom->nangles;
		atom->nangles++;

		if (force->newton_bond) return;

		@@ -456,7 +450,7 @@ void CreateBonds::single_dihedral()
		dihedral_atom4[m][num_dihedral[m]] = datom4;
		num_dihedral[m]++;
		}
		++atom->ndihedrals;
		atom->ndihedrals++;

		if (force->newton_bond) return;

+0 −6

Original line number	Diff line number	Diff line
		@@ -407,12 +407,6 @@ void DeleteAtoms::delete_overlap(int narg, char **arg)
		break;
		}
		}

		// trigger clearing the list of available neighbor list requests
		// and a full rebuild of them during the next run setup
		// otherwise the request from this command may linger around

		neighbor->init();
		}

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

+5 −4

Original line number	Diff line number	Diff line
		@@ -152,7 +152,8 @@ int NeighRequest::identical(NeighRequest *other)
		if (cutoff != other->cutoff) same = 0;

		if (skip != other->skip) same = 0;
		if (skip) same = same_skip(other);
		if (same && skip && other->skip) same = same_skip(other);
		if (skip && other->skip) same = same_skip(other);

		return same;
		}