diff --git a/src/fix_shear_history.cpp b/src/fix_shear_history.cpp
index 5951029328a80f53ec1a2d86ec5ed3c044c5726a..a11def70ba99e9bdd0cf40c9c74ac0714d2dd7da 100644
--- a/src/fix_shear_history.cpp
+++ b/src/fix_shear_history.cpp
@@ -41,6 +41,10 @@ FixShearHistory::FixShearHistory(LAMMPS *lmp, int narg, char **arg) :
newton_pair = force->newton_pair;
+ onesided = 0;
+ if (strcmp(id,"LINE_SHEAR_HISTORY") == 0) onesided = 1;
+ if (strcmp(id,"TRI_SHEAR_HISTORY") == 0) onesided = 1;
+
if (newton_pair) comm_reverse = 1; // just for single npartner value
// variable-size history communicated via
// reverse_comm_fix_variable()
@@ -111,8 +115,8 @@ void FixShearHistory::init()
}
/* ----------------------------------------------------------------------
- create pages if first time or if neighbor pgsize/oneatom has changed
- note that latter could cause shear history info to be discarded
+ create pages if first time or if neighbor pgsize/oneatom has changed
+ note that latter could cause shear history info to be discarded
------------------------------------------------------------------------- */
void FixShearHistory::allocate_pages()
@@ -151,18 +155,120 @@ void FixShearHistory::allocate_pages()
b/c there is no guarantee of a current neigh list (even on continued run)
if run command does a 2nd run with pre = no, then no neigh list
will be built, but old neigh list will still have the info
- newton ON and newton OFF versions
- newton ON does reverse comm to acquire shear partner info from ghost atoms
- newton OFF works with smaller vectors that don't include ghost info
+ onesided and newton on and newton off versions
------------------------------------------------------------------------- */
void FixShearHistory::pre_exchange()
{
- if (newton_pair) pre_exchange_newton();
+ if (onesided) pre_exchange_onesided();
+ else if (newton_pair) pre_exchange_newton();
else pre_exchange_no_newton();
}
-/* ---------------------------------------------------------------------- */
+/* ----------------------------------------------------------------------
+ onesided version for sphere contact with line/tri particles
+ neighbor list has I = sphere, J = line/tri
+ only store history info with spheres
+------------------------------------------------------------------------- */
+
+void FixShearHistory::pre_exchange_onesided()
+{
+ int i,j,ii,jj,m,n,inum,jnum;
+ int *ilist,*jlist,*numneigh,**firstneigh;
+ int *touch,**firsttouch;
+ double *shear,*allshear,**firstshear;
+
+ // NOTE: all operations until very end are with nlocal_neigh <= current nlocal
+ // b/c previous neigh list was built with nlocal_neigh
+ // nlocal can be larger if other fixes added atoms at this pre_exchange()
+
+ // zero npartner for owned atoms
+ // clear 2 page data structures
+
+ for (i = 0; i < nlocal_neigh; i++) npartner[i] = 0;
+
+ ipage->reset();
+ dpage->reset();
+
+ // 1st loop over neighbor list, I = sphere, J = tri
+ // only calculate npartner for owned spheres
+
+ tagint *tag = atom->tag;
+ NeighList *list = pair->list;
+ inum = list->inum;
+ ilist = list->ilist;
+ numneigh = list->numneigh;
+ firstneigh = list->firstneigh;
+ firsttouch = list->listgranhistory->firstneigh;
+ firstshear = list->listgranhistory->firstdouble;
+
+ for (ii = 0; ii < inum; ii++) {
+ i = ilist[ii];
+ jlist = firstneigh[i];
+ jnum = numneigh[i];
+ touch = firsttouch[i];
+
+ for (jj = 0; jj < jnum; jj++) {
+ if (touch[jj]) npartner[i]++;
+ }
+ }
+
+ // get page chunks to store atom IDs and shear history for owned atoms
+
+ for (ii = 0; ii < inum; ii++) {
+ i = ilist[ii];
+ n = npartner[i];
+ partner[i] = ipage->get(n);
+ shearpartner[i] = dpage->get(n);
+ if (partner[i] == NULL || shearpartner[i] == NULL)
+ error->one(FLERR,"Shear history overflow, boost neigh_modify one");
+ }
+
+ // 2nd loop over neighbor list, I = sphere, J = tri
+ // store atom IDs and shear history for owned spheres
+ // re-zero npartner to use as counter
+
+ for (i = 0; i < nlocal_neigh; i++) npartner[i] = 0;
+
+ for (ii = 0; ii < inum; ii++) {
+ i = ilist[ii];
+ jlist = firstneigh[i];
+ allshear = firstshear[i];
+ jnum = numneigh[i];
+ touch = firsttouch[i];
+
+ for (jj = 0; jj < jnum; jj++) {
+ if (touch[jj]) {
+ shear = &allshear[3*jj];
+ j = jlist[jj];
+ j &= NEIGHMASK;
+ m = npartner[i];
+ partner[i][m] = tag[j];
+ shearpartner[i][m][0] = shear[0];
+ shearpartner[i][m][1] = shear[1];
+ shearpartner[i][m][2] = shear[2];
+ npartner[i]++;
+ }
+ }
+ }
+
+ // set maxtouch = max # of partners of any owned atom
+ // bump up comm->maxexchange_fix if necessary
+
+ maxtouch = 0;
+ for (i = 0; i < nlocal_neigh; i++) maxtouch = MAX(maxtouch,npartner[i]);
+ comm->maxexchange_fix = MAX(comm->maxexchange_fix,4*maxtouch+1);
+
+ // zero npartner values from previous nlocal_neigh to current nlocal
+
+ int nlocal = atom->nlocal;
+ for (i = nlocal_neigh; i < nlocal; i++) npartner[i] = 0;
+}
+
+/* ----------------------------------------------------------------------
+ newton on version, for sphere/sphere contacts
+ performs reverse comm to acquire shear partner info from ghost atoms
+------------------------------------------------------------------------- */
void FixShearHistory::pre_exchange_newton()
{
@@ -291,7 +397,10 @@ void FixShearHistory::pre_exchange_newton()
for (i = nlocal_neigh; i < nlocal; i++) npartner[i] = 0;
}
-/* ---------------------------------------------------------------------- */
+/* ----------------------------------------------------------------------
+ newton off version, for sphere/sphere contacts
+ newton OFF works with smaller vectors that don't include ghost info
+------------------------------------------------------------------------- */
void FixShearHistory::pre_exchange_no_newton()
{
@@ -443,6 +552,7 @@ void FixShearHistory::grow_arrays(int nmax)
memory->grow(npartner,nmax,"shear_history:npartner");
partner = (tagint **) memory->srealloc(partner,nmax*sizeof(tagint *),
"shear_history:partner");
+
typedef double (*sptype)[3];
shearpartner = (sptype *)
memory->srealloc(shearpartner,nmax*sizeof(sptype),
diff --git a/src/fix_shear_history.h b/src/fix_shear_history.h
index 66ff9fc5219ed87e9a73e5f185abe15bfb296da9..0ef31549637d0f37cf251f7b20406878507a197e 100644
--- a/src/fix_shear_history.h
+++ b/src/fix_shear_history.h
@@ -28,8 +28,8 @@ namespace LAMMPS_NS {
class FixShearHistory : public Fix {
friend class Neighbor;
friend class PairGranHookeHistory;
- friend class PairLineGranHooke;
- friend class PairTriGranHooke;
+ friend class PairLineGranHookeHistory;
+ friend class PairTriGranHookeHistory;
public:
FixShearHistory(class LAMMPS *, int, char **);
@@ -56,7 +56,8 @@ class FixShearHistory : public Fix {
int maxsize_restart();
protected:
- int newton_pair;
+ int newton_pair; // same as force setting
+ int onesided; // 1 for line/tri history, else 0
int nlocal_neigh; // nlocal at last time neigh list was built
int nall_neigh; // ditto for nlocal+nghost
@@ -74,6 +75,7 @@ class FixShearHistory : public Fix {
MyPage<tagint> *ipage; // pages of partner atom IDs
MyPage<double[3]> *dpage; // pages of shear history with partners
+ void pre_exchange_onesided();
void pre_exchange_newton();
void pre_exchange_no_newton();
void allocate_pages();