resolve merge conflict (68a74fdf) · Commits · 郑智淋 / lammps

src/create_atoms.cpp

+8 −9

Original line number	Diff line number	Diff line
		@@ -11,10 +11,9 @@
		See the README file in the top-level LAMMPS directory.
		------------------------------------------------------------------------- */

		#include <cmath>
		#include <cstdlib>
		#include <cstring>
		#include "create_atoms.h"
		#include <mpi.h>
		#include <cstring>
		#include "atom.h"
		#include "atom_vec.h"
		#include "molecule.h"
		@@ -23,8 +22,6 @@
		#include "modify.h"
		#include "force.h"
		#include "special.h"
		#include "fix.h"
		#include "compute.h"
		#include "domain.h"
		#include "lattice.h"
		#include "region.h"
		@@ -183,8 +180,6 @@ void CreateAtoms::command(int narg, char **arg)
		} else error->all(FLERR,"Illegal create_atoms command");
		iarg += 3;
		} else if (strcmp(arg[iarg],"rotate") == 0) {
		if (style != SINGLE)
		error->all(FLERR,"Cannot use create_atoms rotate unless single style");
		if (iarg+5 > narg) error->all(FLERR,"Illegal create_atoms command");
		double thetaone;
		double axisone[3];
		@@ -701,7 +696,9 @@ void CreateAtoms::add_random()
		coord[1] >= sublo[1] && coord[1] < subhi[1] &&
		coord[2] >= sublo[2] && coord[2] < subhi[2]) {
		if (mode == ATOM) atom->avec->create_atom(ntype,xone);
		else add_molecule(xone);
		else if (quatone[0] == 0 && quatone[1] == 0 && quatone[2] == 0)
		add_molecule(xone);
		else add_molecule(xone, quatone);
		}
		}

		@@ -866,7 +863,9 @@ void CreateAtoms::add_lattice()
		else {
		if (!subsetflag \|\| flag[iflag++] == 1)
		if (mode == ATOM) atom->avec->create_atom(basistype[m],x);
		else add_molecule(x);
		else if (quatone[0] == 0 && quatone[1] == 0 && quatone[2] == 0)
		add_molecule(x);
		else add_molecule(x,quatone);
		}
		}
		}

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