whitespace cleanup and reindent (d5e43a9a) · Commits · 郑智淋 / lammps

src/USER-MISC/fix_bond_react.cpp

+35 −61

Original line number	Diff line number	Diff line
		@@ -288,7 +288,6 @@ Fix(lmp, narg, arg)

		FixBondReact::~FixBondReact()
		{

		// unregister callbacks to this fix from Atom class
		atom->delete_callback(id,0);

		@@ -351,7 +350,6 @@ FixBondReact::~FixBondReact()

		delete [] guess_branch;
		delete [] pioneer_count;

		}

		/* ---------------------------------------------------------------------- */
		@@ -373,7 +371,6 @@ it will have the name 'i_limit_tags' and will be intitialized to 0 (not in group

		void FixBondReact::post_constructor()
		{

		//let's add the limit_tags per-atom property fix
		int len = strlen("per_atom_props") + 1;
		id_fix2 = new char[len];
		@@ -534,7 +531,6 @@ void FixBondReact::init()
		neighbor->requests[irequest]->occasional = 1;

		lastcheck = -1;

		}

		/* ---------------------------------------------------------------------- */
		@@ -1001,7 +997,6 @@ void FixBondReact::superimpose_algorithm()
		limit_bond(0); // add reacting atoms to nve/limit
		limit_bond(1);
		update_everything(); // change topology

		}

		/* ----------------------------------------------------------------------
		@@ -1102,7 +1097,6 @@ void FixBondReact::make_a_guess()

		// okay everything seems to be in order. let's assign some ID pairs!!!
		neighbor_loop();

		}

		/* ----------------------------------------------------------------------
		@@ -1124,9 +1118,7 @@ void FixBondReact::neighbor_loop()
		check_a_neighbor();
		}
		}

		// status should still = PROCEED

		}

		/* ----------------------------------------------------------------------
		@@ -1236,9 +1228,7 @@ void FixBondReact::check_a_neighbor()
		}
		}
		}

		// status is still 'PROCEED' if we are here!

		}

		/* ----------------------------------------------------------------------
		@@ -1280,9 +1270,7 @@ void FixBondReact::crosscheck_the_neighbor()
		return;
		}
		}

		// status is still 'PROCEED' if we are here!

		}

		/* ----------------------------------------------------------------------
		@@ -1347,7 +1335,6 @@ void FixBondReact::inner_crosscheck_loop()
		return;
		}
		status = CONTINUE;

		}

		/* ----------------------------------------------------------------------
		@@ -1378,7 +1365,6 @@ void FixBondReact::ring_check()
		}
		}
		}

		}

		/* ----------------------------------------------------------------------
		@@ -1428,7 +1414,6 @@ void FixBondReact::find_landlocked_atoms(int myrxn)
		if (twomol->type[i] != onemol->type[equivalences[i][1][myrxn]-1] && landlocked_atoms[i][myrxn] == 0)
		error->one(FLERR,"Atom affected by reaction too close to template edge");
		}

		}

		/* ----------------------------------------------------------------------
		@@ -1571,7 +1556,6 @@ void FixBondReact::dedup_mega_gloves(int dedup_mode)
		}
		global_megasize = new_global_megasize;
		}

		}

		/* ----------------------------------------------------------------------
		@@ -1643,7 +1627,6 @@ void FixBondReact::limit_bond(int limit_bond_mode)
		}

		delete [] temp_limit_glove;

		}

		/* ----------------------------------------------------------------------
		@@ -1676,7 +1659,6 @@ void FixBondReact::unlimit_bond()

		//really should only communicate this per-atom property, not entire reneighboring
		next_reneighbor = update->ntimestep;

		}

		/* ----------------------------------------------------------------------
		@@ -1713,7 +1695,6 @@ int ghostly = 0;
		}
		local_num_mega++;
		}

		}

		/* ----------------------------------------------------------------------
		@@ -1782,7 +1763,6 @@ void FixBondReact::ghost_glovecast()
		delete [] allncols;

		#endif

		}

		/* ----------------------------------------------------------------------
		@@ -2244,8 +2224,6 @@ void FixBondReact::update_everything()
		int Tdelta_imprp;
		MPI_Allreduce(&delta_imprp,&Tdelta_imprp,1,MPI_LMP_BIGINT,MPI_SUM,world);
		atom->nimpropers += Tdelta_imprp;


		}

		/* ----------------------------------------------------------------------
		@@ -2449,7 +2427,6 @@ void FixBondReact::post_integrate_respa(int ilevel, int iloop)
		int FixBondReact::pack_forward_comm(int n, int list, double buf,
		int pbc_flag, int *pbc)
		{

		int i,j,k,m,ns;

		m = 0;
		@@ -2485,14 +2462,12 @@ int pbc_flag, int *pbc)
		buf[m++] = ubuf(special[j][k]).d;
		}
		return m;

		}

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

		void FixBondReact::unpack_forward_comm(int n, int first, double *buf)
		{

		int i,j,m,ns,last;

		m = 0;
		@@ -2523,7 +2498,6 @@ void FixBondReact::unpack_forward_comm(int n, int first, double *buf)
		special[i][j] = (tagint) ubuf(buf[m++]).i;
		}
		}

		}

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

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