document restartinfo bug message, add check to Pair::write_restart as well (cf3095e9) · Commits · 郑智淋 / lammps

doc/src/Section_errors.txt

+7 −0

Original line number	Diff line number	Diff line
		@@ -803,6 +803,13 @@ lo value must be less than the hi value for all 3 dimensions. :dd
		The box command cannot be used after a read_data, read_restart, or
		create_box command. :dd

		{BUG: restartinfo=1 but no restart support in pair style} :dt

		The pair style has a bug, where it does not support reading
		and writing information to a restart file, but does not set
		the member variable restartinfo to 0 as required in that case. :dd


		{CPU neighbor lists must be used for ellipsoid/sphere mix.} :dt

		When using Gay-Berne or RE-squared pair styles with both ellipsoidal and

+6 −0

Original line number	Diff line number	Diff line
		@@ -698,6 +698,12 @@ void Pair::read_restart(FILE *)
		error->all(FLERR,"BUG: restartinfo=1 but no restart support in pair style");
		}

		/* ---------------------------------------------------------------------- */
		void Pair::write_restart(FILE *)
		{
		error->all(FLERR,"BUG: restartinfo=1 but no restart support in pair style");
		}

		/* -------------------------------------------------------------------
		register a callback to a compute, so it can compute and accumulate
		additional properties during the pair computation from within

+4 −2

Original line number	Diff line number	Diff line
		@@ -157,7 +157,7 @@ class Pair : protected Pointers {
		virtual void free_tables();
		virtual void free_disp_tables();

		virtual void write_restart(FILE *) {}
		virtual void write_restart(FILE *);
		virtual void read_restart(FILE *);
		virtual void write_restart_settings(FILE *) {}
		virtual void read_restart_settings(FILE *) {}
		@@ -303,7 +303,9 @@ No kspace style is defined.

		E: BUG: restartinfo=1 but no restart support in pair style

		UNDOCUMENTED
		The pair style has a bug, where it does not support reading
		and writing information to a restart file, but does not set
		the member variable restartinfo to 0 as required in that case.

		E: Cannot yet use compute tally with Kokkos