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remove evil tabs

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This commit is contained in:
Axel Kohlmeyer
2021-08-19 10:06:34 -04:00
parent 11b4ae641f
commit 7046b75861
24 changed files with 412 additions and 412 deletions
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48
src/npair_full_multi.cpp
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@ -89,7 +89,7 @@ void NPairFullMulti::build(NeighList *list)
// if same collection use own bin
if(icollection == jcollection) jbin = ibin;
else jbin = coord2bin(x[i], jcollection);
else jbin = coord2bin(x[i], jcollection);
// loop over all atoms in surrounding bins in stencil including self
// skip i = j
@ -99,34 +99,34 @@ void NPairFullMulti::build(NeighList *list)
ns = nstencil_multi[icollection][jcollection];
for (k = 0; k < ns; k++) {
js = binhead_multi[jcollection][jbin + s[k]];
for (j = js; j >= 0; j = bins[j]) {
if (i == j) continue;
js = binhead_multi[jcollection][jbin + s[k]];
for (j = js; j >= 0; j = bins[j]) {
if (i == j) continue;
jtype = type[j];
if (exclude && exclusion(i,j,itype,jtype,mask,molecule)) continue;
delx = xtmp - x[j][0];
dely = ytmp - x[j][1];
delz = ztmp - x[j][2];
rsq = delx*delx + dely*dely + delz*delz;
delx = xtmp - x[j][0];
dely = ytmp - x[j][1];
delz = ztmp - x[j][2];
rsq = delx*delx + dely*dely + delz*delz;
if (rsq <= cutneighsq[itype][jtype]) {
if (molecular != Atom::ATOMIC) {
if (!moltemplate)
which = find_special(special[i],nspecial[i],tag[j]);
else if (imol >= 0)
which = find_special(onemols[imol]->special[iatom],
onemols[imol]->nspecial[iatom],
tag[j]-tagprev);
else which = 0;
if (which == 0) neighptr[n++] = j;
else if (domain->minimum_image_check(delx,dely,delz))
neighptr[n++] = j;
else if (which > 0) neighptr[n++] = j ^ (which << SBBITS);
} else neighptr[n++] = j;
}
}
if (rsq <= cutneighsq[itype][jtype]) {
if (molecular != Atom::ATOMIC) {
if (!moltemplate)
which = find_special(special[i],nspecial[i],tag[j]);
else if (imol >= 0)
which = find_special(onemols[imol]->special[iatom],
onemols[imol]->nspecial[iatom],
tag[j]-tagprev);
else which = 0;
if (which == 0) neighptr[n++] = j;
else if (domain->minimum_image_check(delx,dely,delz))
neighptr[n++] = j;
else if (which > 0) neighptr[n++] = j ^ (which << SBBITS);
} else neighptr[n++] = j;
}
}
}
}