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lammps
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give access to LAMMPS object and wrap in macros for optional exception handling

This commit is contained in:
Axel Kohlmeyer 2019-04-02 11:49:08 -04:00
parent fd7c680654
commit 3eab343821
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GPG Key ID: D9B44E93BF0C375A
1 changed files with 25 additions and 5 deletions
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30
src/library.cpp
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@ -802,10 +802,14 @@ void lammps_reset_box(void *ptr, double *boxlo, double *boxhi,
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
#if defined(LAMMPS_BIGBIG) #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*/) 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"); lmp->error->all(FLERR,"Library function lammps_gather_atoms() not compatible with -DLAMMPS_BIGBIG");
END_CAPTURE
} }
#else #else
void lammps_gather_atoms(void *ptr, char *name, void lammps_gather_atoms(void *ptr, char *name,
@ -936,10 +940,14 @@ void lammps_gather_atoms(void *ptr, char *name,
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
#if defined(LAMMPS_BIGBIG) #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*/) 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"); lmp->error->all(FLERR,"Library function lammps_gather_atoms_concat() not compatible with -DLAMMPS_BIGBIG");
END_CAPTURE
} }
#else #else
void lammps_gather_atoms_concat(void *ptr, char *name, 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) #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 /*type*/, int /*count*/,
int /*ndata*/, int * /*ids*/, void * /*data*/) 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"); lmp->error->all(FLERR,"Library function lammps_gather_atoms_subset() not compatible with -DLAMMPS_BIGBIG");
END_CAPTURE
} }
#else #else
void lammps_gather_atoms_subset(void *ptr, char *name, 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) #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*/) 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"); lmp->error->all(FLERR,"Library function lammps_scatter_atoms() not compatible with -DLAMMPS_BIGBIG");
END_CAPTURE
} }
#else #else
void lammps_scatter_atoms(void *ptr, char *name, void lammps_scatter_atoms(void *ptr, char *name,
@ -1352,11 +1368,15 @@ void lammps_scatter_atoms(void *ptr, char *name,
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
#if defined(LAMMPS_BIGBIG) #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 /*type*/, int /*count*/,
int /*ndata*/, int * /*ids*/, void * /*data*/) 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"); lmp->error->all(FLERR,"Library function lammps_scatter_atoms_subset() not compatible with -DLAMMPS_BIGBIG");
END_CAPTURE
} }
#else #else
void lammps_scatter_atoms_subset(void *ptr, char *name, void lammps_scatter_atoms_subset(void *ptr, char *name,