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Fixing remaining bugs to compile

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This commit is contained in:
Joel Clemmer
2020-11-11 10:11:49 -07:00
parent 9a3ece75f2
commit f94c82910d
13 changed files with 29 additions and 28 deletions
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28
src/nstencil.cpp
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@ -182,15 +182,15 @@ void NStencil::copy_bin_info()
void NStencil::copy_bin_info_multi2(int type)
{
mbinx = nb->mbinx2[type];
mbiny = nb->mbiny2[type];
mbinz = nb->mbinz2[type];
binsizex = nb->binsizex2[type];
binsizey = nb->binsizey2[type];
binsizez = nb->binsizez2[type];
bininvx = nb->bininvx2[type];
bininvy = nb->bininvy2[type];
bininvz = nb->bininvz2[type];
mbinx = nb->mbinx_multi2[type];
mbiny = nb->mbiny_multi2[type];
mbinz = nb->mbinz_multi2[type];
binsizex = nb->binsizex_multi2[type];
binsizey = nb->binsizey_multi2[type];
binsizez = nb->binsizez_multi2[type];
bininvx = nb->bininvx_multi2[type];
bininvy = nb->bininvy_multi2[type];
bininvz = nb->bininvz_multi2[type];
}
/* ----------------------------------------------------------------------
@ -284,8 +284,8 @@ void NStencil::create_setup()
memory->create(binsizez_multi2, n+1, n+1,
"neighstencil:binsizez_multi2");
memory->create(mbinx_multi2, n+1, n+1,"neighstencil:mbinx_multi2");
memory->create(mbiney_multi2, n+1, n+1, "neighstencil:mbiny_multi2");
memory->create(mbinx_multi2, n+1, n+1, "neighstencil:mbinx_multi2");
memory->create(mbiny_multi2, n+1, n+1, "neighstencil:mbiny_multi2");
memory->create(mbinz_multi2, n+1, n+1, "neighstencil:mbinz_multi2");
// Skip all stencils by default, initialize smax
@ -321,7 +321,7 @@ void NStencil::create_setup()
// Copy bin info for this particular pair of types
bin_type = stencil_bin_type[i][j];
copy_bin_info_bytype(bin_type);
copy_bin_info_multi2(bin_type);
binsizex_multi2[i][j] = binsizex;
binsizey_multi2[i][j] = binsizey;
@ -393,8 +393,8 @@ double NStencil::memory_usage()
bytes += atom->ntypes*maxstencil_multi * sizeof(double);
} else if (neighstyle == Neighbor::MULTI2) {
int n = atom->ntypes;
for (i = 1; i <= n; ++i) {
for (j = 1; j <= n; ++j) {
for (int i = 1; i <= n; i++) {
for (int j = 1; j <= n; j++) {
bytes += maxstencil_multi2[i][j] * sizeof(int);
bytes += maxstencil_multi2[i][j] * sizeof(int);
bytes += maxstencil_multi2[i][j] * sizeof(double);