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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@163 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2006-11-16 17:40:18 +00:00
parent 8d1c25c72f
commit c7a515ac6d
1 changed files with 35 additions and 0 deletions
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35
src/neighbor.cpp
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@ -405,6 +405,13 @@ void Neighbor::init()
firstneigh = firstneigh =
(int **) memory->smalloc(maxlocal*sizeof(int *),"neigh:firstneigh"); (int **) memory->smalloc(maxlocal*sizeof(int *),"neigh:firstneigh");
add_pages(0); add_pages(0);
} else if (half && half_previous) {
memory->sfree(numneigh);
memory->sfree(firstneigh);
numneigh =
(int *) memory->smalloc(maxlocal*sizeof(int),"neigh:numneigh");
firstneigh =
(int **) memory->smalloc(maxlocal*sizeof(int *),"neigh:firstneigh");
} }
if (full == 0 && full_previous) { if (full == 0 && full_previous) {
@ -420,6 +427,13 @@ void Neighbor::init()
firstneigh_full = firstneigh_full =
(int **) memory->smalloc(maxlocal*sizeof(int *),"neigh:firstneigh_full"); (int **) memory->smalloc(maxlocal*sizeof(int *),"neigh:firstneigh_full");
add_pages_full(0); add_pages_full(0);
} else if (full && full_previous) {
memory->sfree(numneigh_full);
memory->sfree(firstneigh_full);
numneigh_full =
(int *) memory->smalloc(maxlocal*sizeof(int),"neigh:numneigh_full");
firstneigh_full =
(int **) memory->smalloc(maxlocal*sizeof(int *),"neigh:firstneigh_full");
} }
// setup/delete memory for shear history neighbor lists // setup/delete memory for shear history neighbor lists
@ -445,6 +459,12 @@ void Neighbor::init()
firstshear = (double **) firstshear = (double **)
memory->smalloc(maxlocal*sizeof(double *),"firstshear"); memory->smalloc(maxlocal*sizeof(double *),"firstshear");
add_pages_history(0); add_pages_history(0);
} else if (history >= 0 && history_previous >= 0) {
memory->sfree(firsttouch);
memory->sfree(firstshear);
firsttouch = (int **) memory->smalloc(maxlocal*sizeof(int *),"firsttouch");
firstshear = (double **)
memory->smalloc(maxlocal*sizeof(double *),"firstshear");
} }
// setup/delete memory for rRESPA neighbor lists // setup/delete memory for rRESPA neighbor lists
@ -489,6 +509,21 @@ void Neighbor::init()
memory->smalloc(maxlocal*sizeof(int *),"neigh:firstneigh_middle"); memory->smalloc(maxlocal*sizeof(int *),"neigh:firstneigh_middle");
add_pages_middle(0); add_pages_middle(0);
} }
} else if (respa && respa_previous) {
memory->sfree(numneigh_inner);
memory->sfree(firstneigh_inner);
numneigh_inner = (int *)
memory->smalloc(maxlocal*sizeof(int),"neigh:numneigh_inner");
firstneigh_inner = (int **)
memory->smalloc(maxlocal*sizeof(int *),"neigh:firstneigh_inner");
if (respa == 2) {
memory->sfree(numneigh_middle);
memory->sfree(firstneigh_middle);
numneigh_middle = (int *)
memory->smalloc(maxlocal*sizeof(int),"neigh:numneigh_middle");
firstneigh_middle = (int **)
memory->smalloc(maxlocal*sizeof(int *),"neigh:firstneigh_middle");
}
} }
if (respa) { if (respa) {