give access to LAMMPS object and wrap in macros for optional exception handling (3eab3438) · Commits · 郑智淋 / lammps

src/library.cpp

+25 −5

Changes for src/library.cpp: 25 added lines, 5 removed lines.
Original line number	Diff line number	Diff line
		@@ -802,10 +802,14 @@ void lammps_reset_box(void ptr, double boxlo, double *boxhi,
		------------------------------------------------------------------------- */

		#if defined(LAMMPS_BIGBIG)
		void lammps_gather_atoms(void * /ptr/, char * /name /,
		void lammps_gather_atoms(void ptr, char /name /,
		int /type/, int /count/, void * /data/)
		{
		LAMMPS lmp = (LAMMPS ) ptr;

		BEGIN_CAPTURE
		lmp->error->all(FLERR,"Library function lammps_gather_atoms() not compatible with -DLAMMPS_BIGBIG");
		END_CAPTURE
		}
		#else
		void lammps_gather_atoms(void ptr, char name,
		@@ -936,10 +940,14 @@ void lammps_gather_atoms(void ptr, char name,
		------------------------------------------------------------------------- */

		#if defined(LAMMPS_BIGBIG)
		void lammps_gather_atoms_concat(void * /ptr/, char * /name /,
		void lammps_gather_atoms_concat(void ptr, char /name /,
		int /type/, int /count/, void * /data/)
		{
		LAMMPS lmp = (LAMMPS ) ptr;

		BEGIN_CAPTURE
		lmp->error->all(FLERR,"Library function lammps_gather_atoms_concat() not compatible with -DLAMMPS_BIGBIG");
		END_CAPTURE
		}
		#else
		void lammps_gather_atoms_concat(void ptr, char name,
		@@ -1088,11 +1096,15 @@ void lammps_gather_atoms_concat(void ptr, char name,
		------------------------------------------------------------------------- */

		#if defined(LAMMPS_BIGBIG)
		void lammps_gather_atoms_subset(void * /ptr/, char * /name /,
		void lammps_gather_atoms_subset(void ptr, char /name /,
		int /type/, int /count/,
		int /ndata/, int * /ids/, void * /data/)
		{
		LAMMPS lmp = (LAMMPS ) ptr;

		BEGIN_CAPTURE
		lmp->error->all(FLERR,"Library function lammps_gather_atoms_subset() not compatible with -DLAMMPS_BIGBIG");
		END_CAPTURE
		}
		#else
		void lammps_gather_atoms_subset(void ptr, char name,
		@@ -1231,10 +1243,14 @@ void lammps_gather_atoms_subset(void ptr, char name,
		------------------------------------------------------------------------- */

		#if defined(LAMMPS_BIGBIG)
		void lammps_scatter_atoms(void * /ptr/, char * /name /,
		void lammps_scatter_atoms(void ptr, char /name /,
		int /type/, int /count/, void * /data/)
		{
		LAMMPS lmp = (LAMMPS ) ptr;

		BEGIN_CAPTURE
		lmp->error->all(FLERR,"Library function lammps_scatter_atoms() not compatible with -DLAMMPS_BIGBIG");
		END_CAPTURE
		}
		#else
		void lammps_scatter_atoms(void ptr, char name,
		@@ -1352,11 +1368,15 @@ void lammps_scatter_atoms(void ptr, char name,
		------------------------------------------------------------------------- */

		#if defined(LAMMPS_BIGBIG)
		void lammps_scatter_atoms_subset(void * /ptr/, char * /name /,
		void lammps_scatter_atoms_subset(void ptr, char /name /,
		int /type/, int /count/,
		int /ndata/, int * /ids/, void * /data/)
		{
		LAMMPS lmp = (LAMMPS ) ptr;

		BEGIN_CAPTURE
		lmp->error->all(FLERR,"Library function lammps_scatter_atoms_subset() not compatible with -DLAMMPS_BIGBIG");
		END_CAPTURE
		}
		#else
		void lammps_scatter_atoms_subset(void ptr, char name,

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