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Fixing mistake in multi stencil

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This commit is contained in:
jtclemm
2022-11-12 20:44:45 -07:00
parent b0dcaa3823
commit b3e6a0bfa3
2 changed files with 15 additions and 11 deletions
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2
src/npair_multi.cpp
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@ -160,7 +160,7 @@ void NPairMulti<HALF, NEWTON, TRI, SIZE>::build(NeighList *list)
delx = xtmp - x[j][0];
dely = ytmp - x[j][1];
delz = ztmp - x[j][2];
rsq = delx*delx + dely*dely + delz*delz;
rsq = delx * delx + dely * dely + delz * delz;
if (SIZE) {
radsum = radius[i] + radius[j];

24
src/nstencil_multi.cpp
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@ -68,12 +68,6 @@ void NStencilMulti<HALF, DIM_3D, TRI>::create()
int n = ncollections;
double cutsq;
// For half stencils, only the upper plane is needed
int sy_min = sy;
int sz_min = sz;
if (HALF && (!DIM_3D)) sy_min = 0;
if (HALF && DIM_3D) sz_min = 0;
for (icollection = 0; icollection < n; icollection++) {
for (jcollection = 0; jcollection < n; jcollection++) {
if (flag_skip_multi[icollection][jcollection]) {
@ -101,15 +95,25 @@ void NStencilMulti<HALF, DIM_3D, TRI>::create()
// as the old npair classes used to separately parse the central bin first
if (half_flag && (!TRI)) stencil[nstencil++] = 0;
// For half stencils, only the upper plane is needed
int sy_min = sy;
int sz_min = sz;
if (HALF) {
if (half_flag && (!DIM_3D)) sy_min = 0;
if (half_flag && DIM_3D) sz_min = 0;
}
for (k = -sz_min; k <= sz; k++) {
for (j = -sy_min; j <= sy; j++) {
for (i = -sx; i <= sx; i++) {
// Now only include "upper right" bins for half and ortho stencils
if (half_flag && (!DIM_3D) && (!TRI))
if (! (j > 0 || (j == 0 && i > 0))) continue;
if (half_flag && DIM_3D && (!TRI))
if (! (k > 0 || j > 0 || (j == 0 && i > 0))) continue;
if (HALF) {
if (half_flag && (!DIM_3D) && (!TRI))
if (! (j > 0 || (j == 0 && i > 0))) continue;
if (half_flag && DIM_3D && (!TRI))
if (! (k > 0 || j > 0 || (j == 0 && i > 0))) continue;
}
if (bin_distance_multi(i,j,k,bin_collection) < cutsq)
stencil_multi[icollection][jcollection][ns++] = k * mbiny * mbinx + j * mbinx + i;