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Renaming multi2->multi npair classes, renaming npair multi variables

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This commit is contained in:
Joel Clemmer
2020-12-19 17:09:11 -07:00
parent 0549da668d
commit 42278e8766
48 changed files with 487 additions and 487 deletions
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70
src/npair.cpp
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@ -135,24 +135,24 @@ void NPair::copy_bin_info()
bins = nb->bins;
binhead = nb->binhead;
nbinx_multi2 = nb->nbinx_multi2;
nbiny_multi2 = nb->nbiny_multi2;
nbinz_multi2 = nb->nbinz_multi2;
mbins_multi2 = nb->mbins_multi2;
mbinx_multi2 = nb->mbinx_multi2;
mbiny_multi2 = nb->mbiny_multi2;
mbinz_multi2 = nb->mbinz_multi2;
mbinxlo_multi2 = nb->mbinxlo_multi2;
mbinylo_multi2 = nb->mbinylo_multi2;
mbinzlo_multi2 = nb->mbinzlo_multi2;
nbinx_multi = nb->nbinx_multi;
nbiny_multi = nb->nbiny_multi;
nbinz_multi = nb->nbinz_multi;
mbins_multi = nb->mbins_multi;
mbinx_multi = nb->mbinx_multi;
mbiny_multi = nb->mbiny_multi;
mbinz_multi = nb->mbinz_multi;
mbinxlo_multi = nb->mbinxlo_multi;
mbinylo_multi = nb->mbinylo_multi;
mbinzlo_multi = nb->mbinzlo_multi;
bininvx_multi2 = nb->bininvx_multi2;
bininvy_multi2 = nb->bininvy_multi2;
bininvz_multi2 = nb->bininvz_multi2;
bininvx_multi = nb->bininvx_multi;
bininvy_multi = nb->bininvy_multi;
bininvz_multi = nb->bininvz_multi;
atom2bin_multi2 = nb->atom2bin_multi2;
bins_multi2 = nb->bins_multi2;
binhead_multi2 = nb->binhead_multi2;
atom2bin_multi = nb->atom2bin_multi;
bins_multi = nb->bins_multi;
binhead_multi = nb->binhead_multi;
}
/* ----------------------------------------------------------------------
@ -164,12 +164,12 @@ void NPair::copy_stencil_info()
nstencil = ns->nstencil;
stencil = ns->stencil;
stencilxyz = ns->stencilxyz;
nstencil_multi_old = ns->nstencil_multi_old;
stencil_multi_old = ns->stencil_multi_old;
distsq_multi_old = ns->distsq_multi_old;
nstencil_multi = ns->nstencil_multi;
stencil_multi = ns->stencil_multi;
distsq_multi = ns->distsq_multi;
nstencil_multi2 = ns->nstencil_multi2;
stencil_multi2 = ns->stencil_multi2;
}
/* ----------------------------------------------------------------------
@ -277,32 +277,32 @@ int NPair::coord2bin(double *x, int it)
error->one(FLERR,"Non-numeric positions - simulation unstable");
if (x[0] >= bboxhi[0])
ix = static_cast<int> ((x[0]-bboxhi[0])*bininvx_multi2[it]) + nbinx_multi2[it];
ix = static_cast<int> ((x[0]-bboxhi[0])*bininvx_multi[it]) + nbinx_multi[it];
else if (x[0] >= bboxlo[0]) {
ix = static_cast<int> ((x[0]-bboxlo[0])*bininvx_multi2[it]);
ix = MIN(ix,nbinx_multi2[it]-1);
ix = static_cast<int> ((x[0]-bboxlo[0])*bininvx_multi[it]);
ix = MIN(ix,nbinx_multi[it]-1);
} else
ix = static_cast<int> ((x[0]-bboxlo[0])*bininvx_multi2[it]) - 1;
ix = static_cast<int> ((x[0]-bboxlo[0])*bininvx_multi[it]) - 1;
if (x[1] >= bboxhi[1])
iy = static_cast<int> ((x[1]-bboxhi[1])*bininvy_multi2[it]) + nbiny_multi2[it];
iy = static_cast<int> ((x[1]-bboxhi[1])*bininvy_multi[it]) + nbiny_multi[it];
else if (x[1] >= bboxlo[1]) {
iy = static_cast<int> ((x[1]-bboxlo[1])*bininvy_multi2[it]);
iy = MIN(iy,nbiny_multi2[it]-1);
iy = static_cast<int> ((x[1]-bboxlo[1])*bininvy_multi[it]);
iy = MIN(iy,nbiny_multi[it]-1);
} else
iy = static_cast<int> ((x[1]-bboxlo[1])*bininvy_multi2[it]) - 1;
iy = static_cast<int> ((x[1]-bboxlo[1])*bininvy_multi[it]) - 1;
if (x[2] >= bboxhi[2])
iz = static_cast<int> ((x[2]-bboxhi[2])*bininvz_multi2[it]) + nbinz_multi2[it];
iz = static_cast<int> ((x[2]-bboxhi[2])*bininvz_multi[it]) + nbinz_multi[it];
else if (x[2] >= bboxlo[2]) {
iz = static_cast<int> ((x[2]-bboxlo[2])*bininvz_multi2[it]);
iz = MIN(iz,nbinz_multi2[it]-1);
iz = static_cast<int> ((x[2]-bboxlo[2])*bininvz_multi[it]);
iz = MIN(iz,nbinz_multi[it]-1);
} else
iz = static_cast<int> ((x[2]-bboxlo[2])*bininvz_multi2[it]) - 1;
iz = static_cast<int> ((x[2]-bboxlo[2])*bininvz_multi[it]) - 1;
ibin = (iz-mbinzlo_multi2[it])*mbiny_multi2[it]*mbinx_multi2[it]
+ (iy-mbinylo_multi2[it])*mbinx_multi2[it]
+ (ix-mbinxlo_multi2[it]);
ibin = (iz-mbinzlo_multi[it])*mbiny_multi[it]*mbinx_multi[it]
+ (iy-mbinylo_multi[it])*mbinx_multi[it]
+ (ix-mbinxlo_multi[it]);
return ibin;
}