add check that shrinkwrap boundaries are not use when reading a data file... (16d2fef5) · Commits · 郑智淋 / lammps

src/read_data.cpp

+4 −1

Original line number	Diff line number	Diff line
		@@ -294,8 +294,11 @@ void ReadData::command(int narg, char **arg)

		// error checks

		if (domain->dimension == 2 && domain->zperiodic == 0)
		if ((domain->dimension == 2) && (domain->zperiodic == 0))
		error->all(FLERR,"Cannot run 2d simulation with nonperiodic Z dimension");
		if ((domain->nonperiodic == 2) && utils::strmatch(force->kspace_style,"^msm"))
		error->all(FLERR,"Reading a data file with shrinkwrap boundaries is "
		"not compatible with a MSM KSpace style");
		if (domain->box_exist && !addflag)
		error->all(FLERR,"Cannot read_data without add keyword "
		"after simulation box is defined");