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move enum{NSQ,BIN,MULTI} to the Neighbor class in neighbor.h

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This commit is contained in:
Axel Kohlmeyer
2018-05-09 23:46:09 -04:00
parent d8138a5b4c
commit 994fd2af0e
9 changed files with 24 additions and 38 deletions
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33
src/neighbor.cpp
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@ -57,7 +57,6 @@ using namespace NeighConst;
#define BIG 1.0e20
enum{NSQ,BIN,MULTI}; // also in NBin, NeighList, NStencil
enum{NONE,ALL,PARTIAL,TEMPLATE};
static const char cite_neigh_multi[] =
@ -85,7 +84,7 @@ pairclass(NULL), pairnames(NULL), pairmasks(NULL)
firsttime = 1;
style = BIN;
style = Neighbor::BIN;
every = 1;
delay = 10;
dist_check = 1;
@ -651,7 +650,7 @@ int Neighbor::init_pair()
// at time of binning when neighbor lists are rebuilt,
// similar to what vanilla Nbin::coord2atom() does now in atom2bin
if (style == BIN) {
if (style == Neighbor::BIN) {
for (i = 0; i < nrequest; i++)
if (requests[i]->occasional && requests[i]->ghost)
error->all(FLERR,"Cannot request an occasional binned neighbor list "
@ -1420,7 +1419,7 @@ void Neighbor::print_pairwise_info()
bbox[1] = bboxhi[1]-bboxlo[1];
bbox[2] = bboxhi[2]-bboxlo[2];
if (binsizeflag) binsize = binsize_user;
else if (style == BIN) binsize = 0.5*cutneighmax;
else if (style == Neighbor::BIN) binsize = 0.5*cutneighmax;
else binsize = 0.5*cutneighmin;
if (binsize == 0.0) binsize = bbox[0];
@ -1445,7 +1444,7 @@ void Neighbor::print_pairwise_info()
oneatom, pgsize);
fprintf(out," master list distance cutoff = %g\n",cutneighmax);
fprintf(out," ghost atom cutoff = %g\n",cutghost);
if (style != NSQ)
if (style != Neighbor::NSQ)
fprintf(out," binsize = %g, bins = %g %g %g\n",binsize,
ceil(bbox[0]/binsize), ceil(bbox[1]/binsize),
ceil(bbox[2]/binsize));
@ -1595,7 +1594,7 @@ int Neighbor::choose_bin(NeighRequest *rq)
{
// no binning needed
if (style == NSQ) return 0;
if (style == Neighbor::NSQ) return 0;
if (rq->skip || rq->copy || rq->halffull) return 0;
// use request settings to match exactly one NBin class mask
@ -1635,7 +1634,7 @@ int Neighbor::choose_stencil(NeighRequest *rq)
{
// no stencil creation needed
if (style == NSQ) return 0;
if (style == Neighbor::NSQ) return 0;
if (rq->skip || rq->copy || rq->halffull) return 0;
// convert newton request to newtflag = on or off
@ -1686,9 +1685,9 @@ int Neighbor::choose_stencil(NeighRequest *rq)
// neighbor style is BIN or MULTI and must match
if (style == BIN) {
if (style == Neighbor::BIN) {
if (!(mask & NS_BIN)) continue;
} else if (style == MULTI) {
} else if (style == Neighbor::MULTI) {
if (!(mask & NS_MULTI)) continue;
}
@ -1817,11 +1816,11 @@ int Neighbor::choose_pair(NeighRequest *rq)
// neighbor style is one of NSQ,BIN,MULTI and must match
if (style == NSQ) {
if (style == Neighbor::NSQ) {
if (!(mask & NP_NSQ)) continue;
} else if (style == BIN) {
} else if (style == Neighbor::BIN) {
if (!(mask & NP_BIN)) continue;
} else if (style == MULTI) {
} else if (style == Neighbor::MULTI) {
if (!(mask & NP_MULTI)) continue;
}
@ -2063,7 +2062,7 @@ void Neighbor::build(int topoflag)
// if bin then, atoms may have moved outside of proc domain & bin extent,
// leading to errors or even a crash
if (style != NSQ) {
if (style != Neighbor::NSQ) {
for (int i = 0; i < nbin; i++) {
neigh_bin[i]->bin_atoms_setup(nall);
neigh_bin[i]->bin_atoms();
@ -2180,12 +2179,12 @@ void Neighbor::set(int narg, char **arg)
skin = force->numeric(FLERR,arg[0]);
if (skin < 0.0) error->all(FLERR,"Illegal neighbor command");
if (strcmp(arg[1],"nsq") == 0) style = NSQ;
else if (strcmp(arg[1],"bin") == 0) style = BIN;
else if (strcmp(arg[1],"multi") == 0) style = MULTI;
if (strcmp(arg[1],"nsq") == 0) style = Neighbor::NSQ;
else if (strcmp(arg[1],"bin") == 0) style = Neighbor::BIN;
else if (strcmp(arg[1],"multi") == 0) style = Neighbor::MULTI;
else error->all(FLERR,"Illegal neighbor command");
if (style == MULTI && lmp->citeme) lmp->citeme->add(cite_neigh_multi);
if (style == Neighbor::MULTI && lmp->citeme) lmp->citeme->add(cite_neigh_multi);
}
/* ----------------------------------------------------------------------