add add check to refuse running with 2d systems and document it. (0b02108b) · Commits · 郑智淋 / lammps

doc/src/compute_viscosity_cos.rst

+2 −0

Original line number	Diff line number	Diff line
		@@ -137,6 +137,8 @@ Restrictions
		""""""""""""

		This command is only available when LAMMPS was built with the USER-MISC package.
		This this depends on :doc:`fix accelerate/cos <fix_accelerate_cos>` which can
		only work for 3d systems, this compute cannot be used for 2d systems.

		Related commands
		""""""""""""""""

+1 −0

Original line number	Diff line number	Diff line
		@@ -86,6 +86,7 @@ Restrictions
		""""""""""""

		This command is only available when LAMMPS was built with the USER-MISC package.
		Since this fix depends on the z-coordinate of atoms, it cannot be used in 2d simulations.

		Related commands
		""""""""""""""""

+2 −10

Original line number	Diff line number	Diff line
		@@ -38,11 +38,8 @@ FixAccelerateCos::FixAccelerateCos(LAMMPS lmp, int narg, char *arg) :
		Fix(lmp, narg, arg) {
		if (narg < 4) error->all(FLERR, "Illegal fix accelerate/cos command");
		acceleration = force->numeric(FLERR, arg[3]);
		}

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

		FixAccelerateCos::~FixAccelerateCos() {
		if (domain->dimension == 2)
		error->all(FLERR,"Fix accelerate/cos cannot be used with 2d systems");
		}

		/* ---------------------------------------------------------------------- */
		@@ -55,11 +52,6 @@ int FixAccelerateCos::setmask() {

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

		void FixAccelerateCos::init() {
		}

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

		void FixAccelerateCos::setup(int vflag) {
		post_force(vflag);
		}

+6 −2

Original line number	Diff line number	Diff line
		@@ -31,9 +31,9 @@ namespace LAMMPS_NS {
		class FixAccelerateCos: public Fix {
		public:
		FixAccelerateCos(class LAMMPS , int, char *);
		virtual ~FixAccelerateCos();
		virtual ~FixAccelerateCos() {};
		int setmask();
		virtual void init();
		virtual void init() {};
		void setup(int);
		virtual void post_force(int);

		@@ -54,4 +54,8 @@ Self-explanatory. Check the input script syntax and compare to the
		documentation for the command. You can use -echo screen as a
		command-line option when running LAMMPS to see the offending line.

		E: Fix accelerate/cos cannot be used with 2d systems

		Self-explanatory.

		*/