remove trailing whitespace

This commit is contained in:
Axel Kohlmeyer
2020-06-11 19:04:15 -04:00
parent 6274234376
commit a8c1ce98cf
4 changed files with 26 additions and 26 deletions

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@ -73,7 +73,7 @@ FixRigidSmall::FixRigidSmall(LAMMPS *lmp, int narg, char **arg) :
dof_flag = 1; dof_flag = 1;
enforce2d_flag = 1; enforce2d_flag = 1;
stores_ids = 1; stores_ids = 1;
MPI_Comm_rank(world,&me); MPI_Comm_rank(world,&me);
MPI_Comm_size(world,&nprocs); MPI_Comm_size(world,&nprocs);

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@ -65,7 +65,7 @@ FixShake::FixShake(LAMMPS *lmp, int narg, char **arg) :
create_attribute = 1; create_attribute = 1;
dof_flag = 1; dof_flag = 1;
stores_ids = 1; stores_ids = 1;
// error check // error check
molecular = atom->molecular; molecular = atom->molecular;

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@ -81,7 +81,7 @@ Fix::Fix(LAMMPS *lmp, int /*narg*/, char **arg) :
maxexchange_dynamic = 0; maxexchange_dynamic = 0;
pre_exchange_migrate = 0; pre_exchange_migrate = 0;
stores_ids = 0; stores_ids = 0;
scalar_flag = vector_flag = array_flag = 0; scalar_flag = vector_flag = array_flag = 0;
peratom_flag = local_flag = 0; peratom_flag = local_flag = 0;
global_freq = local_freq = peratom_freq = -1; global_freq = local_freq = peratom_freq = -1;

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@ -63,7 +63,7 @@ void ResetIDs::command(int narg, char **arg)
// process args // process args
int sortflag = 0; int sortflag = 0;
int iarg = 0; int iarg = 0;
while (iarg < narg) { while (iarg < narg) {
if (strcmp(arg[iarg],"sort") == 0) { if (strcmp(arg[iarg],"sort") == 0) {
@ -74,7 +74,7 @@ void ResetIDs::command(int narg, char **arg)
iarg += 2; iarg += 2;
} else error->all(FLERR,"Illegal reset_ids command"); } else error->all(FLERR,"Illegal reset_ids command");
} }
// create an atom map if one doesn't exist already // create an atom map if one doesn't exist already
int mapflag = 0; int mapflag = 0;
@ -260,7 +260,7 @@ void ResetIDs::command(int narg, char **arg)
} }
// reset IDs and atom map for owned atoms // reset IDs and atom map for owned atoms
atom->map_clear(); atom->map_clear();
atom->nghost = 0; atom->nghost = 0;
for (int i = 0; i < nlocal; i++) tag[i] = (tagint) ubuf(newIDs[i][0]).i; for (int i = 0; i < nlocal; i++) tag[i] = (tagint) ubuf(newIDs[i][0]).i;
@ -302,7 +302,7 @@ void ResetIDs::sort()
// bboxlo,bboxhi = bounding box on all atoms in system // bboxlo,bboxhi = bounding box on all atoms in system
// expanded by 0.01 percent // expanded by 0.01 percent
// bbox should work for orthogonal or triclinic system // bbox should work for orthogonal or triclinic system
double **x = atom->x; double **x = atom->x;
int nlocal = atom->nlocal; int nlocal = atom->nlocal;
@ -333,7 +333,7 @@ void ResetIDs::sort()
// nbin_estimate = estimate of total number of bins, each with PERBIN atoms // nbin_estimate = estimate of total number of bins, each with PERBIN atoms
// binsize = edge length of a cubic bin // binsize = edge length of a cubic bin
// nbin xyz = bin count in each dimension // nbin xyz = bin count in each dimension
bigint nbin_estimate = atom->natoms / PERBIN; bigint nbin_estimate = atom->natoms / PERBIN;
double vol; double vol;
if (dim == 2) vol = (bboxhi[0]-bboxlo[0]) * (bboxhi[1]-bboxlo[1]); if (dim == 2) vol = (bboxhi[0]-bboxlo[0]) * (bboxhi[1]-bboxlo[1]);
@ -343,7 +343,7 @@ void ResetIDs::sort()
int nbinx = static_cast<int> ((bboxhi[0]-bboxlo[0]) / binsize) + 1; int nbinx = static_cast<int> ((bboxhi[0]-bboxlo[0]) / binsize) + 1;
int nbiny = static_cast<int> ((bboxhi[1]-bboxlo[1]) / binsize) + 1; int nbiny = static_cast<int> ((bboxhi[1]-bboxlo[1]) / binsize) + 1;
int nbinz = static_cast<int> ((bboxhi[2]-bboxlo[2]) / binsize) + 1; int nbinz = static_cast<int> ((bboxhi[2]-bboxlo[2]) / binsize) + 1;
double invx = 1.0 / (bboxhi[0]-bboxlo[0]); double invx = 1.0 / (bboxhi[0]-bboxlo[0]);
double invy = 1.0 / (bboxhi[1]-bboxlo[1]); double invy = 1.0 / (bboxhi[1]-bboxlo[1]);
double invz; double invz;
@ -359,13 +359,13 @@ void ResetIDs::sort()
// nbinlo = # of bins owned by low group procs // nbinlo = # of bins owned by low group procs
// binlo to binhi-1 = bin indices this proc will own in Rvous decomp // binlo to binhi-1 = bin indices this proc will own in Rvous decomp
// bins are numbered from 0 to Nbins-1 // bins are numbered from 0 to Nbins-1
bigint nbins = (bigint) nbinx*nbiny*nbinz; bigint nbins = (bigint) nbinx*nbiny*nbinz;
int nlo = nbins / nprocs; int nlo = nbins / nprocs;
int nhi = nlo + 1; int nhi = nlo + 1;
int nplo = nprocs - (nbins % nprocs); int nplo = nprocs - (nbins % nprocs);
bigint nbinlo = nplo*nlo; bigint nbinlo = nplo*nlo;
if (me < nplo) { if (me < nplo) {
binlo = me * nlo; binlo = me * nlo;
binhi = (me+1) * nlo; binhi = (me+1) * nlo;
@ -375,9 +375,9 @@ void ResetIDs::sort()
} }
// fill atombuf with info on my atoms // fill atombuf with info on my atoms
// ibin = which bin the atom is in // ibin = which bin the atom is in
// proclist = proc that owns ibin // proclist = proc that owns ibin
int *proclist; int *proclist;
memory->create(proclist,nlocal,"special:proclist"); memory->create(proclist,nlocal,"special:proclist");
AtomRvous *atombuf = (AtomRvous *) AtomRvous *atombuf = (AtomRvous *)
@ -385,7 +385,7 @@ void ResetIDs::sort()
int ibinx,ibiny,ibinz,iproc; int ibinx,ibiny,ibinz,iproc;
bigint ibin; bigint ibin;
for (int i = 0; i < nlocal; i++) { for (int i = 0; i < nlocal; i++) {
ibinx = static_cast<int> ((x[i][0]-bboxlo[0])*invx * nbinx); ibinx = static_cast<int> ((x[i][0]-bboxlo[0])*invx * nbinx);
ibiny = static_cast<int> ((x[i][1]-bboxlo[1])*invy * nbiny); ibiny = static_cast<int> ((x[i][1]-bboxlo[1])*invy * nbiny);
@ -395,7 +395,7 @@ void ResetIDs::sort()
if (ibin < nbinlo) iproc = ibin / nlo; if (ibin < nbinlo) iproc = ibin / nlo;
else iproc = nplo + (ibin-nbinlo) / nhi; else iproc = nplo + (ibin-nbinlo) / nhi;
proclist[i] = iproc; proclist[i] = iproc;
atombuf[i].ibin = ibin; atombuf[i].ibin = ibin;
atombuf[i].proc = me; atombuf[i].proc = me;
atombuf[i].ilocal = i; atombuf[i].ilocal = i;
@ -403,7 +403,7 @@ void ResetIDs::sort()
atombuf[i].x[1] = x[i][1]; atombuf[i].x[1] = x[i][1];
atombuf[i].x[2] = x[i][2]; atombuf[i].x[2] = x[i][2];
} }
// perform rendezvous operation, send atombuf to other procs // perform rendezvous operation, send atombuf to other procs
char *buf; char *buf;
@ -418,7 +418,7 @@ void ResetIDs::sort()
// set new ID for all owned atoms // set new ID for all owned atoms
int ilocal; int ilocal;
for (int i = 0; i < nreturn; i++) { for (int i = 0; i < nreturn; i++) {
ilocal = outbuf[i].ilocal; ilocal = outbuf[i].ilocal;
atom->tag[ilocal] = outbuf[i].newID; atom->tag[ilocal] = outbuf[i].newID;
@ -438,7 +438,7 @@ int ResetIDs::sort_bins(int n, char *inbuf,
void *ptr) void *ptr)
{ {
int i,ibin,index; int i,ibin,index;
ResetIDs *rptr = (ResetIDs *) ptr; ResetIDs *rptr = (ResetIDs *) ptr;
Memory *memory = rptr->memory; Memory *memory = rptr->memory;
Error *error = rptr->error; Error *error = rptr->error;
@ -448,7 +448,7 @@ int ResetIDs::sort_bins(int n, char *inbuf,
// nbins = my subset of bins from binlo to binhi-1 // nbins = my subset of bins from binlo to binhi-1
// initialize linked lists of my Rvous atoms in each bin // initialize linked lists of my Rvous atoms in each bin
int *next,*head,*last,*count; int *next,*head,*last,*count;
int nbins = binhi - binlo; int nbins = binhi - binlo;
@ -456,16 +456,16 @@ int ResetIDs::sort_bins(int n, char *inbuf,
memory->create(head,nbins,"resetIDs:head"); memory->create(head,nbins,"resetIDs:head");
memory->create(last,nbins,"resetIDs:last"); memory->create(last,nbins,"resetIDs:last");
memory->create(count,nbins,"resetIDs:count"); memory->create(count,nbins,"resetIDs:count");
for (i = 0; i < n; i++) next[i] = -1; for (i = 0; i < n; i++) next[i] = -1;
for (ibin = 0; ibin < nbins; ibin++) { for (ibin = 0; ibin < nbins; ibin++) {
head[ibin] = last[ibin] = -1; head[ibin] = last[ibin] = -1;
count[ibin] = 0; count[ibin] = 0;
} }
AtomRvous *in = (AtomRvous *) inbuf; AtomRvous *in = (AtomRvous *) inbuf;
for (i = 0; i < n; i++) { for (i = 0; i < n; i++) {
if (in[i].ibin < binlo || in[i].ibin >= binhi) { if (in[i].ibin < binlo || in[i].ibin >= binhi) {
//printf("BAD me %d i %d %d ibin %d binlohi %d %d\n", //printf("BAD me %d i %d %d ibin %d binlohi %d %d\n",
@ -496,7 +496,7 @@ int ResetIDs::sort_bins(int n, char *inbuf,
index = next[index]; index = next[index];
} }
#if defined(LMP_QSORT) #if defined(LMP_QSORT)
sortrvous = in; sortrvous = in;
qsort(order,count[ibin],sizeof(int),compare_coords); qsort(order,count[ibin],sizeof(int),compare_coords);
@ -518,7 +518,7 @@ int ResetIDs::sort_bins(int n, char *inbuf,
tagint nprev; tagint nprev;
MPI_Scan(&ntag,&nprev,1,MPI_LMP_TAGINT,MPI_SUM,world); MPI_Scan(&ntag,&nprev,1,MPI_LMP_TAGINT,MPI_SUM,world);
nprev -= n; nprev -= n;
// loop over bins and sorted atoms in each bin, reset ids to be consecutive // loop over bins and sorted atoms in each bin, reset ids to be consecutive
// pass outbuf of IDRvous datums back to comm->rendezvous // pass outbuf of IDRvous datums back to comm->rendezvous
@ -548,9 +548,9 @@ int ResetIDs::sort_bins(int n, char *inbuf,
memory->destroy(last); memory->destroy(last);
memory->destroy(count); memory->destroy(count);
memory->destroy(order); memory->destroy(order);
// flag = 2: new outbuf // flag = 2: new outbuf
flag = 2; flag = 2;
return nout; return nout;
} }