Merge pull request #1161 from lammps/create-atoms-single (4015b36a) · Commits · 郑智淋 / lammps

src/create_atoms.cpp

+10 −0

Original line number	Diff line number	Diff line
		@@ -569,10 +569,20 @@ void CreateAtoms::add_single()
		}

		// if triclinic, convert to lamda coords (0-1)
		// with remapflag set and periodic dims,
		// resulting coord must satisfy 0.0 <= coord < 1.0

		double lamda[3],*coord;
		if (triclinic) {
		domain->x2lamda(xone,lamda);
		if (remapflag) {
		if (domain->xperiodic && (lamda[0] < 0.0 \|\| lamda[0] >= 1.0))
		lamda[0] = 0.0;
		if (domain->yperiodic && (lamda[1] < 0.0 \|\| lamda[1] >= 1.0))
		lamda[1] = 0.0;
		if (domain->zperiodic && (lamda[2] < 0.0 \|\| lamda[2] >= 1.0))
		lamda[2] = 0.0;
		}
		coord = lamda;
		} else coord = xone;