change ring communication API to no longer require a static variable pointing to 'this' of the caller
This commit is contained in:
Axel Kohlmeyer
@ -27,10 +27,6 @@
|
||||
|
||||
using namespace LAMMPS_NS;
|
||||
|
||||
// allocate space for static class variable
|
||||
|
||||
Special *Special::sptr;
|
||||
|
||||
/* ---------------------------------------------------------------------- */
|
||||
|
||||
Special::Special(LAMMPS *lmp) : Pointers(lmp)
|
||||
@ -120,8 +116,7 @@ void Special::build()
|
||||
// when receive buffer, scan tags for atoms I own
|
||||
// when find one, increment nspecial count for that atom
|
||||
|
||||
sptr = this;
|
||||
comm->ring(size,sizeof(tagint),buf,1,ring_one,NULL);
|
||||
comm->ring(size,sizeof(tagint),buf,1,ring_one,NULL,(void *)this);
|
||||
|
||||
memory->destroy(buf);
|
||||
}
|
||||
@ -178,8 +173,7 @@ void Special::build()
|
||||
// when receive buffer, scan 2nd-atom tags for atoms I own
|
||||
// when find one, add 1st-atom tag to onetwo list for 2nd atom
|
||||
|
||||
sptr = this;
|
||||
comm->ring(size,sizeof(tagint),buf,2,ring_two,NULL);
|
||||
comm->ring(size,sizeof(tagint),buf,2,ring_two,NULL,(void *)this);
|
||||
|
||||
memory->destroy(buf);
|
||||
}
|
||||
@ -226,8 +220,7 @@ void Special::build()
|
||||
// when find one, increment 1-3 count by # of 1-2 neighbors of my atom,
|
||||
// subtracting one since my list will contain original atom
|
||||
|
||||
sptr = this;
|
||||
comm->ring(size,sizeof(tagint),buf,3,ring_three,buf);
|
||||
comm->ring(size,sizeof(tagint),buf,3,ring_three,buf,(void *)this);
|
||||
|
||||
// extract count from buffer that has cycled back to me
|
||||
// nspecial[i][1] = # of 1-3 neighbors of atom i
|
||||
@ -287,8 +280,7 @@ void Special::build()
|
||||
// exclude the atom whose tag = original
|
||||
// this process may include duplicates but they will be culled later
|
||||
|
||||
sptr = this;
|
||||
comm->ring(size,sizeof(tagint),buf,4,ring_four,buf);
|
||||
comm->ring(size,sizeof(tagint),buf,4,ring_four,buf,(void *)this);
|
||||
|
||||
// fill onethree with buffer values that have been returned to me
|
||||
// sanity check: accumulated buf[i+3] count should equal
|
||||
@ -343,8 +335,7 @@ void Special::build()
|
||||
// when find one, increment 1-4 count by # of 1-2 neighbors of my atom
|
||||
// may include duplicates and original atom but they will be culled later
|
||||
|
||||
sptr = this;
|
||||
comm->ring(size,sizeof(tagint),buf,5,ring_five,buf);
|
||||
comm->ring(size,sizeof(tagint),buf,5,ring_five,buf,(void *)this);
|
||||
|
||||
// extract count from buffer that has cycled back to me
|
||||
// nspecial[i][2] = # of 1-4 neighbors of atom i
|
||||
@ -402,8 +393,7 @@ void Special::build()
|
||||
// incrementing the count in buf(i+4)
|
||||
// this process may include duplicates but they will be culled later
|
||||
|
||||
sptr = this;
|
||||
comm->ring(size,sizeof(tagint),buf,6,ring_six,buf);
|
||||
comm->ring(size,sizeof(tagint),buf,6,ring_six,buf,(void *)this);
|
||||
|
||||
// fill onefour with buffer values that have been returned to me
|
||||
// sanity check: accumulated buf[i+2] count should equal
|
||||
@ -744,8 +734,7 @@ void Special::angle_trim()
|
||||
// when receive buffer, scan list of 1,3 atoms looking for atoms I own
|
||||
// when find one, scan its 1-3 neigh list and mark I,J as in an angle
|
||||
|
||||
sptr = this;
|
||||
comm->ring(size,sizeof(tagint),buf,7,ring_seven,NULL);
|
||||
comm->ring(size,sizeof(tagint),buf,7,ring_seven,NULL,(void *)this);
|
||||
|
||||
// delete 1-3 neighbors if they are not flagged in dflag
|
||||
|
||||
@ -850,8 +839,7 @@ void Special::dihedral_trim()
|
||||
// when receive buffer, scan list of 1,4 atoms looking for atoms I own
|
||||
// when find one, scan its 1-4 neigh list and mark I,J as in a dihedral
|
||||
|
||||
sptr = this;
|
||||
comm->ring(size,sizeof(tagint),buf,8,ring_eight,NULL);
|
||||
comm->ring(size,sizeof(tagint),buf,8,ring_eight,NULL,(void *)this);
|
||||
|
||||
// delete 1-4 neighbors if they are not flagged in dflag
|
||||
|
||||
@ -894,8 +882,9 @@ void Special::dihedral_trim()
|
||||
when find one, increment nspecial count for that atom
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
void Special::ring_one(int ndatum, char *cbuf)
|
||||
void Special::ring_one(int ndatum, char *cbuf, void *ptr)
|
||||
{
|
||||
Special *sptr = (Special *) ptr;
|
||||
Atom *atom = sptr->atom;
|
||||
int **nspecial = atom->nspecial;
|
||||
int nlocal = atom->nlocal;
|
||||
@ -914,8 +903,9 @@ void Special::ring_one(int ndatum, char *cbuf)
|
||||
when find one, add 1st-atom tag to onetwo list for 2nd atom
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
void Special::ring_two(int ndatum, char *cbuf)
|
||||
void Special::ring_two(int ndatum, char *cbuf, void *ptr)
|
||||
{
|
||||
Special *sptr = (Special *) ptr;
|
||||
Atom *atom = sptr->atom;
|
||||
int nlocal = atom->nlocal;
|
||||
|
||||
@ -937,8 +927,9 @@ void Special::ring_two(int ndatum, char *cbuf)
|
||||
subtracting one since my list will contain original atom
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
void Special::ring_three(int ndatum, char *cbuf)
|
||||
void Special::ring_three(int ndatum, char *cbuf, void *ptr)
|
||||
{
|
||||
Special *sptr = (Special *) ptr;
|
||||
Atom *atom = sptr->atom;
|
||||
int **nspecial = atom->nspecial;
|
||||
int nlocal = atom->nlocal;
|
||||
@ -968,8 +959,9 @@ void Special::ring_three(int ndatum, char *cbuf)
|
||||
this process may include duplicates but they will be culled later
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
void Special::ring_four(int ndatum, char *cbuf)
|
||||
void Special::ring_four(int ndatum, char *cbuf, void *ptr)
|
||||
{
|
||||
Special *sptr = (Special *) ptr;
|
||||
Atom *atom = sptr->atom;
|
||||
int **nspecial = atom->nspecial;
|
||||
int nlocal = atom->nlocal;
|
||||
@ -1004,8 +996,9 @@ void Special::ring_four(int ndatum, char *cbuf)
|
||||
may include duplicates and original atom but they will be culled later
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
void Special::ring_five(int ndatum, char *cbuf)
|
||||
void Special::ring_five(int ndatum, char *cbuf, void *ptr)
|
||||
{
|
||||
Special *sptr = (Special *) ptr;
|
||||
Atom *atom = sptr->atom;
|
||||
int **nspecial = atom->nspecial;
|
||||
int nlocal = atom->nlocal;
|
||||
@ -1033,8 +1026,9 @@ void Special::ring_five(int ndatum, char *cbuf)
|
||||
this process may include duplicates but they will be culled later
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
void Special::ring_six(int ndatum, char *cbuf)
|
||||
void Special::ring_six(int ndatum, char *cbuf, void *ptr)
|
||||
{
|
||||
Special *sptr = (Special *) ptr;
|
||||
Atom *atom = sptr->atom;
|
||||
int **nspecial = atom->nspecial;
|
||||
int nlocal = atom->nlocal;
|
||||
@ -1065,8 +1059,9 @@ void Special::ring_six(int ndatum, char *cbuf)
|
||||
when find one, scan its 1-3 neigh list and mark I,J as in an angle
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
void Special::ring_seven(int ndatum, char *cbuf)
|
||||
void Special::ring_seven(int ndatum, char *cbuf, void *ptr)
|
||||
{
|
||||
Special *sptr = (Special *) ptr;
|
||||
Atom *atom = sptr->atom;
|
||||
int **nspecial = atom->nspecial;
|
||||
int nlocal = atom->nlocal;
|
||||
@ -1105,8 +1100,9 @@ void Special::ring_seven(int ndatum, char *cbuf)
|
||||
when find one, scan its 1-4 neigh list and mark I,J as in a dihedral
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
void Special::ring_eight(int ndatum, char *cbuf)
|
||||
void Special::ring_eight(int ndatum, char *cbuf, void *ptr)
|
||||
{
|
||||
Special *sptr = (Special *) ptr;
|
||||
Atom *atom = sptr->atom;
|
||||
int **nspecial = atom->nspecial;
|
||||
int nlocal = atom->nlocal;
|
||||
|
||||
Reference in New Issue
Block a user