Commit 18fa9f45 authored by sjplimp's avatar sjplimp
Browse files 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2188 f3b2605a-c512-4ea7-a41b-209d697bcdaa
parent 08597934

src/neigh_full.cpp

+5 −5
Original line number Diff line number Diff line
@@ -37,9 +37,9 @@ void Neighbor::full_nsq(NeighList *list) 
  int nlocal = atom->nlocal;

  int nall = nlocal + atom->nghost;

  int molecular = atom->molecular;

  if (include_group) {

  if (includegroup) {

    nlocal = atom->nfirst;

    bitmask = group->bitmask[include_group];

    bitmask = group->bitmask[includegroup];

  }



  int *ilist = list->ilist;
@@ -71,7 +71,7 @@ void Neighbor::full_nsq(NeighList *list) 
    // skip i = j



    for (j = 0; j < nall; j++) {

      if (include_group && !(mask[j] & bitmask)) continue;

      if (includegroup && !(mask[j] & bitmask)) continue;

      if (i == j) continue;

      jtype = type[j];

      if (exclude && exclusion(i,j,itype,jtype,mask,molecule)) continue;
@@ -123,7 +123,7 @@ void Neighbor::full_bin(NeighList *list) 
  int nlocal = atom->nlocal;

  int nall = nlocal + atom->nghost;

  int molecular = atom->molecular;

  if (include_group) nlocal = atom->nfirst;

  if (includegroup) nlocal = atom->nfirst;



  int *ilist = list->ilist;

  int *numneigh = list->numneigh;
@@ -215,7 +215,7 @@ void Neighbor::full_multi(NeighList *list) 
  int nlocal = atom->nlocal;

  int nall = nlocal + atom->nghost;

  int molecular = atom->molecular;

  if (include_group) nlocal = atom->nfirst;

  if (includegroup) nlocal = atom->nfirst;



  int *ilist = list->ilist;

  int *numneigh = list->numneigh;

src/neigh_gran.cpp

+9 −9
Original line number Diff line number Diff line
@@ -52,9 +52,9 @@ void Neighbor::granular_nsq_no_newton(NeighList *list) 
  int *molecule = atom->molecule;

  int nlocal = atom->nlocal;

  int nall = nlocal + atom->nghost;

  if (include_group) {

  if (includegroup) {

    nlocal = atom->nfirst;

    bitmask = group->bitmask[include_group];

    bitmask = group->bitmask[includegroup];

  }



  int *ilist = list->ilist;
@@ -108,7 +108,7 @@ void Neighbor::granular_nsq_no_newton(NeighList *list) 
    // loop over remaining atoms, owned and ghost



    for (j = i+1; j < nall; j++) {

      if (include_group && !(mask[j] & bitmask)) continue;

      if (includegroup && !(mask[j] & bitmask)) continue;

      if (exclude && exclusion(i,j,type[i],type[j],mask,molecule)) continue;



      delx = xtmp - x[j][0];
@@ -187,9 +187,9 @@ void Neighbor::granular_nsq_newton(NeighList *list) 
  int *molecule = atom->molecule;

  int nlocal = atom->nlocal;

  int nall = nlocal + atom->nghost;

  if (include_group) {

  if (includegroup) {

    nlocal = atom->nfirst;

    bitmask = group->bitmask[include_group];

    bitmask = group->bitmask[includegroup];

  }



  int *ilist = list->ilist;
@@ -221,7 +221,7 @@ void Neighbor::granular_nsq_newton(NeighList *list) 
    // loop over remaining atoms, owned and ghost



    for (j = i+1; j < nall; j++) {

      if (include_group && !(mask[j] & bitmask)) continue;

      if (includegroup && !(mask[j] & bitmask)) continue;



      if (j >= nlocal) {

	jtag = tag[j];
@@ -298,7 +298,7 @@ void Neighbor::granular_bin_no_newton(NeighList *list) 
  int *mask = atom->mask;

  int *molecule = atom->molecule;

  int nlocal = atom->nlocal;

  if (include_group) nlocal = atom->nfirst;

  if (includegroup) nlocal = atom->nfirst;



  int *ilist = list->ilist;

  int *numneigh = list->numneigh;
@@ -441,7 +441,7 @@ void Neighbor::granular_bin_newton(NeighList *list) 
  int *mask = atom->mask;

  int *molecule = atom->molecule;

  int nlocal = atom->nlocal;

  if (include_group) nlocal = atom->nfirst;

  if (includegroup) nlocal = atom->nfirst;



  int *ilist = list->ilist;

  int *numneigh = list->numneigh;
@@ -548,7 +548,7 @@ void Neighbor::granular_bin_newton_tri(NeighList *list) 
  int *mask = atom->mask;

  int *molecule = atom->molecule;

  int nlocal = atom->nlocal;

  if (include_group) nlocal = atom->nfirst;

  if (includegroup) nlocal = atom->nfirst;



  int *ilist = list->ilist;

  int *numneigh = list->numneigh;

src/neigh_half_bin.cpp

+3 −3
Original line number Diff line number Diff line
@@ -43,7 +43,7 @@ void Neighbor::half_bin_no_newton(NeighList *list) 
  int *molecule = atom->molecule;

  int nlocal = atom->nlocal;

  int nall = nlocal + atom->nghost;

  if (include_group) nlocal = atom->nfirst;

  if (includegroup) nlocal = atom->nfirst;

  int molecular = atom->molecular;



  int *ilist = list->ilist;
@@ -137,7 +137,7 @@ void Neighbor::half_bin_newton(NeighList *list) 
  int nlocal = atom->nlocal;

  int nall = nlocal + atom->nghost;

  int molecular = atom->molecular;

  if (include_group) nlocal = atom->nfirst;

  if (includegroup) nlocal = atom->nfirst;



  int *ilist = list->ilist;

  int *numneigh = list->numneigh;
@@ -251,7 +251,7 @@ void Neighbor::half_bin_newton_tri(NeighList *list) 
  int nlocal = atom->nlocal;

  int nall = nlocal + atom->nghost;

  int molecular = atom->molecular;

  if (include_group) nlocal = atom->nfirst;

  if (includegroup) nlocal = atom->nfirst;



  int *ilist = list->ilist;

  int *numneigh = list->numneigh;

src/neigh_half_multi.cpp

+3 −3
Original line number Diff line number Diff line
@@ -46,7 +46,7 @@ void Neighbor::half_multi_no_newton(NeighList *list) 
  int nlocal = atom->nlocal;

  int nall = nlocal + atom->nghost;

  int molecular = atom->molecular;

  if (include_group) nlocal = atom->nfirst;

  if (includegroup) nlocal = atom->nfirst;



  int *ilist = list->ilist;

  int *numneigh = list->numneigh;
@@ -147,7 +147,7 @@ void Neighbor::half_multi_newton(NeighList *list) 
  int nlocal = atom->nlocal;

  int nall = nlocal + atom->nghost;

  int molecular = atom->molecular;

  if (include_group) nlocal = atom->nfirst;

  if (includegroup) nlocal = atom->nfirst;



  int *ilist = list->ilist;

  int *numneigh = list->numneigh;
@@ -271,7 +271,7 @@ void Neighbor::half_multi_newton_tri(NeighList *list) 
  int nlocal = atom->nlocal;

  int nall = nlocal + atom->nghost;

  int molecular = atom->molecular;

  if (include_group) nlocal = atom->nfirst;

  if (includegroup) nlocal = atom->nfirst;



  int *ilist = list->ilist;

  int *numneigh = list->numneigh;

src/neigh_half_nsq.cpp

+6 −6
Original line number Diff line number Diff line
@@ -38,9 +38,9 @@ void Neighbor::half_nsq_no_newton(NeighList *list) 
  int nlocal = atom->nlocal;

  int nall = nlocal + atom->nghost;

  int molecular = atom->molecular;

  if (include_group) {

  if (includegroup) {

    nlocal = atom->nfirst;

    bitmask = group->bitmask[include_group];

    bitmask = group->bitmask[includegroup];

  }



  int *ilist = list->ilist;
@@ -71,7 +71,7 @@ void Neighbor::half_nsq_no_newton(NeighList *list) 
    // loop over remaining atoms, owned and ghost



    for (j = i+1; j < nall; j++) {

      if (include_group && !(mask[j] & bitmask)) continue;

      if (includegroup && !(mask[j] & bitmask)) continue;

      jtype = type[j];

      if (exclude && exclusion(i,j,itype,jtype,mask,molecule)) continue;
@@ -119,9 +119,9 @@ void Neighbor::half_nsq_newton(NeighList *list) 
  int nlocal = atom->nlocal;

  int nall = nlocal + atom->nghost;

  int molecular = atom->molecular;

  if (include_group) {

  if (includegroup) {

    nlocal = atom->nfirst;

    bitmask = group->bitmask[include_group];

    bitmask = group->bitmask[includegroup];

  }



  int *ilist = list->ilist;
@@ -154,7 +154,7 @@ void Neighbor::half_nsq_newton(NeighList *list) 
    // itag = jtag is possible for long cutoffs that include images of self



    for (j = i+1; j < nall; j++) {

      if (include_group && !(mask[j] & bitmask)) continue;

      if (includegroup && !(mask[j] & bitmask)) continue;



      if (j >= nlocal) {

	jtag = tag[j];

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