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

View File

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

View File

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

View File

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

View File

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