Merge pull request #407 from frobnitzem/master (c97feafc) · Commits · 郑智淋 / lammps

src/library.cpp

+8 −0

Original line number	Diff line number	Diff line
		@@ -761,6 +761,10 @@ void lammps_gather_atoms(void ptr, char name,

		int i,j,offset;
		void *vptr = lmp->atom->extract(name);
		if(vptr == NULL) {
		lmp->error->warning(FLERR,"lammps_gather_atoms: unknown property name");
		return;
		}

		// copy = Natom length vector of per-atom values
		// use atom ID to insert each atom's values into copy
		@@ -857,6 +861,10 @@ void lammps_scatter_atoms(void ptr, char name,

		int i,j,m,offset;
		void *vptr = lmp->atom->extract(name);
		if(vptr == NULL) {
		lmp->error->warning(FLERR,"lammps_scatter_atoms: unknown property name");
		return;
		}

		// copy = Natom length vector of per-atom values
		// use atom ID to insert each atom's values into copy