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fix up whitespace issues (remove tabs, trailing whitespace)

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This commit is contained in:
Axel Kohlmeyer
2021-08-20 13:46:47 -04:00
parent 1eb506002b
commit 1a81a94dfb
4 changed files with 43 additions and 43 deletions
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12
src/KOKKOS/atom_kokkos.cpp
View File

@ -265,7 +265,7 @@ int AtomKokkos::add_custom(const char *name, int flag, int cols)
index = nivector; index = nivector;
nivector++; nivector++;
ivname = (char **) memory->srealloc(ivname,nivector*sizeof(char *), ivname = (char **) memory->srealloc(ivname,nivector*sizeof(char *),
"atom:ivname"); "atom:ivname");
int n = strlen(name) + 1; int n = strlen(name) + 1;
ivname[index] = new char[n]; ivname[index] = new char[n];
strcpy(ivname[index],name); strcpy(ivname[index],name);
@ -277,7 +277,7 @@ int AtomKokkos::add_custom(const char *name, int flag, int cols)
index = ndvector; index = ndvector;
ndvector++; ndvector++;
dvname = (char **) memory->srealloc(dvname,ndvector*sizeof(char *), dvname = (char **) memory->srealloc(dvname,ndvector*sizeof(char *),
"atom:dvname"); "atom:dvname");
int n = strlen(name) + 1; int n = strlen(name) + 1;
dvname[index] = new char[n]; dvname[index] = new char[n];
strcpy(dvname[index],name); strcpy(dvname[index],name);
@ -292,12 +292,12 @@ int AtomKokkos::add_custom(const char *name, int flag, int cols)
index = niarray; index = niarray;
niarray++; niarray++;
ianame = (char **) memory->srealloc(ianame,niarray*sizeof(char *), ianame = (char **) memory->srealloc(ianame,niarray*sizeof(char *),
"atom:ianame"); "atom:ianame");
int n = strlen(name) + 1; int n = strlen(name) + 1;
ianame[index] = new char[n]; ianame[index] = new char[n];
strcpy(ianame[index],name); strcpy(ianame[index],name);
iarray = (int ***) memory->srealloc(iarray,niarray*sizeof(int **), iarray = (int ***) memory->srealloc(iarray,niarray*sizeof(int **),
"atom:iarray"); "atom:iarray");
memory->create(iarray[index],nmax,cols,"atom:iarray"); memory->create(iarray[index],nmax,cols,"atom:iarray");
icols = (int *) memory->srealloc(icols,niarray*sizeof(int),"atom:icols"); icols = (int *) memory->srealloc(icols,niarray*sizeof(int),"atom:icols");
@ -307,12 +307,12 @@ int AtomKokkos::add_custom(const char *name, int flag, int cols)
index = ndarray; index = ndarray;
ndarray++; ndarray++;
daname = (char **) memory->srealloc(daname,ndarray*sizeof(char *), daname = (char **) memory->srealloc(daname,ndarray*sizeof(char *),
"atom:daname"); "atom:daname");
int n = strlen(name) + 1; int n = strlen(name) + 1;
daname[index] = new char[n]; daname[index] = new char[n];
strcpy(daname[index],name); strcpy(daname[index],name);
darray = (double ***) memory->srealloc(darray,ndarray*sizeof(double **), darray = (double ***) memory->srealloc(darray,ndarray*sizeof(double **),
"atom:darray"); "atom:darray");
memory->create(darray[index],nmax,cols,"atom:darray"); memory->create(darray[index],nmax,cols,"atom:darray");
dcols = (int *) memory->srealloc(dcols,ndarray*sizeof(int),"atom:dcols"); dcols = (int *) memory->srealloc(dcols,ndarray*sizeof(int),"atom:dcols");

10
src/dump_custom.cpp
View File

@ -1042,16 +1042,16 @@ int DumpCustom::count()
nstride = 1; nstride = 1;
} else if (thresh_array[ithresh] == DVEC) { } else if (thresh_array[ithresh] == DVEC) {
i = nfield + ithresh; i = nfield + ithresh;
int iwhich = custom[field2index[i]]; int iwhich = custom[field2index[i]];
ptr = atom->dvector[iwhich]; ptr = atom->dvector[iwhich];
nstride = 1; nstride = 1;
} else if (thresh_array[ithresh] == IARRAY) { } else if (thresh_array[ithresh] == IARRAY) {
i = nfield + ithresh; i = nfield + ithresh;
int iwhich = custom[field2index[i]]; int iwhich = custom[field2index[i]];
int **iarray = atom->iarray[iwhich]; int **iarray = atom->iarray[iwhich];
int icol = argindex[i] - 1; int icol = argindex[i] - 1;
for (i = 0; i < nlocal; i++) for (i = 0; i < nlocal; i++)
dchoose[i] = iarray[i][icol]; dchoose[i] = iarray[i][icol];
ptr = dchoose; ptr = dchoose;
@ -1061,8 +1061,8 @@ int DumpCustom::count()
i = nfield + ithresh; i = nfield + ithresh;
int iwhich = custom[field2index[i]]; int iwhich = custom[field2index[i]];
double **darray = atom->darray[iwhich]; double **darray = atom->darray[iwhich];
ptr = &darray[0][argindex[i]-1]; ptr = &darray[0][argindex[i]-1];
nstride = atom->dcols[iwhich]; nstride = atom->dcols[iwhich];
} }
// unselect atoms that don't meet threshold criterion // unselect atoms that don't meet threshold criterion

6
src/fix_group.cpp
View File

@ -77,7 +77,7 @@ idregion(nullptr), idvar(nullptr), idprop(nullptr)
iprop = atom->find_custom(arg[iarg+1],flag,cols); iprop = atom->find_custom(arg[iarg+1],flag,cols);
if (iprop < 1 || cols) if (iprop < 1 || cols)
error->all(FLERR,"Custom per-atom vector for group dynamic " error->all(FLERR,"Custom per-atom vector for group dynamic "
"does not exist"); "does not exist");
propflag = 1; propflag = 1;
delete [] idprop; delete [] idprop;
idprop = utils::strdup(arg[iarg+1]); idprop = utils::strdup(arg[iarg+1]);
@ -246,8 +246,8 @@ void FixGroup::set_group()
if (regionflag && !region->match(x[i][0],x[i][1],x[i][2])) inflag = 0; if (regionflag && !region->match(x[i][0],x[i][1],x[i][2])) inflag = 0;
if (varflag && var[i] == 0.0) inflag = 0; if (varflag && var[i] == 0.0) inflag = 0;
if (propflag) { if (propflag) {
if (!proptype && ivector[i] == 0) inflag = 0; if (!proptype && ivector[i] == 0) inflag = 0;
if (proptype && dvector[i] == 0.0) inflag = 0; if (proptype && dvector[i] == 0.0) inflag = 0;
} }
} else inflag = 0; } else inflag = 0;

58
src/fix_property_atom.cpp
View File

@ -449,23 +449,23 @@ void FixPropertyAtom::write_data_section(int /*mth*/, FILE *fp,
if (style[nv] == MOLECULE) if (style[nv] == MOLECULE)
fprintf(fp," " TAGINT_FORMAT,(tagint) ubuf(buf[i][icol++]).i); fprintf(fp," " TAGINT_FORMAT,(tagint) ubuf(buf[i][icol++]).i);
else if (style[nv] == CHARGE) else if (style[nv] == CHARGE)
fprintf(fp," %g",buf[i][icol++]); fprintf(fp," %g",buf[i][icol++]);
else if (style[nv] == RMASS) else if (style[nv] == RMASS)
fprintf(fp," %g",buf[i][icol++]); fprintf(fp," %g",buf[i][icol++]);
else if (style[nv] == IVEC) else if (style[nv] == IVEC)
fprintf(fp," %d",(int) ubuf(buf[i][icol++]).i); fprintf(fp," %d",(int) ubuf(buf[i][icol++]).i);
else if (style[nv] == DVEC) else if (style[nv] == DVEC)
fprintf(fp," %g",buf[i][icol++]); fprintf(fp," %g",buf[i][icol++]);
else if (style[nv] == IARRAY) { else if (style[nv] == IARRAY) {
ncol = cols[nv]; ncol = cols[nv];
for (k = 0; k < ncol; k++) for (k = 0; k < ncol; k++)
fprintf(fp," %d",(int) ubuf(buf[i][icol+k]).i); fprintf(fp," %d",(int) ubuf(buf[i][icol+k]).i);
icol += ncol; icol += ncol;
} else if (style[nv] == DARRAY) { } else if (style[nv] == DARRAY) {
ncol = cols[nv]; ncol = cols[nv];
for (k = 0; k < ncol; k++) for (k = 0; k < ncol; k++)
fprintf(fp," %g",buf[i][icol+k]); fprintf(fp," %g",buf[i][icol+k]);
icol += ncol; icol += ncol;
} }
} }
fprintf(fp,"\n"); fprintf(fp,"\n");
@ -557,11 +557,11 @@ void FixPropertyAtom::copy_arrays(int i, int j, int /*delflag*/)
else if (style[nv] == IARRAY) { else if (style[nv] == IARRAY) {
ncol = cols[nv]; ncol = cols[nv];
for (k = 0; k < ncol; k++) for (k = 0; k < ncol; k++)
atom->iarray[index[nv]][j][k] = atom->iarray[index[nv]][i][k]; atom->iarray[index[nv]][j][k] = atom->iarray[index[nv]][i][k];
} else if (style[nv] == DARRAY) { } else if (style[nv] == DARRAY) {
ncol = cols[nv]; ncol = cols[nv];
for (k = 0; k < ncol; k++) for (k = 0; k < ncol; k++)
atom->darray[index[nv]][j][k] = atom->darray[index[nv]][i][k]; atom->darray[index[nv]][j][k] = atom->darray[index[nv]][i][k];
} }
} }
} }
@ -611,16 +611,16 @@ int FixPropertyAtom::pack_border(int n, int *list, double *buf)
ncol = cols[nv]; ncol = cols[nv];
for (i = 0; i < n; i++) { for (i = 0; i < n; i++) {
j = list[i]; j = list[i];
for (k = 0; k < ncol; k++) for (k = 0; k < ncol; k++)
buf[m++] = ubuf(iarray[j][k]).d; buf[m++] = ubuf(iarray[j][k]).d;
} }
} else if (style[nv] == DARRAY) { } else if (style[nv] == DARRAY) {
double **darray = atom->darray[index[nv]]; double **darray = atom->darray[index[nv]];
ncol = cols[nv]; ncol = cols[nv];
for (i = 0; i < n; i++) { for (i = 0; i < n; i++) {
j = list[i]; j = list[i];
for (k = 0; k < ncol; k++) for (k = 0; k < ncol; k++)
buf[m++] = darray[j][k]; buf[m++] = darray[j][k];
} }
} }
} }
@ -668,15 +668,15 @@ int FixPropertyAtom::unpack_border(int n, int first, double *buf)
ncol = cols[nv]; ncol = cols[nv];
last = first + n; last = first + n;
for (i = first; i < last; i++) for (i = first; i < last; i++)
for (k = 0; k < ncol; k++) for (k = 0; k < ncol; k++)
iarray[i][k] = (int) ubuf(buf[m++]).i; iarray[i][k] = (int) ubuf(buf[m++]).i;
} else if (style[nv] == DARRAY) { } else if (style[nv] == DARRAY) {
double **darray = atom->darray[index[nv]]; double **darray = atom->darray[index[nv]];
ncol = cols[nv]; ncol = cols[nv];
last = first + n; last = first + n;
for (i = first; i < last; i++) for (i = first; i < last; i++)
for (k = 0; k < ncol; k++) for (k = 0; k < ncol; k++)
darray[i][k] = buf[m++]; darray[i][k] = buf[m++];
} }
} }
@ -701,11 +701,11 @@ int FixPropertyAtom::pack_exchange(int i, double *buf)
else if (style[nv] == IARRAY) { else if (style[nv] == IARRAY) {
ncol = cols[nv]; ncol = cols[nv];
for (k = 0; k < ncol; k++) for (k = 0; k < ncol; k++)
buf[m++] = ubuf(atom->iarray[index[nv]][i][k]).d; buf[m++] = ubuf(atom->iarray[index[nv]][i][k]).d;
} else if (style[nv] == DARRAY) { } else if (style[nv] == DARRAY) {
ncol = cols[nv]; ncol = cols[nv];
for (k = 0; k < ncol; k++) for (k = 0; k < ncol; k++)
buf[m++] = atom->darray[index[nv]][i][k]; buf[m++] = atom->darray[index[nv]][i][k];
} }
} }
@ -735,11 +735,11 @@ int FixPropertyAtom::unpack_exchange(int nlocal, double *buf)
else if (style[nv] == IARRAY) { else if (style[nv] == IARRAY) {
ncol = cols[nv]; ncol = cols[nv];
for (k = 0; k < ncol; k++) for (k = 0; k < ncol; k++)
atom->iarray[index[nv]][nlocal][k] = (int) ubuf(buf[m++]).i; atom->iarray[index[nv]][nlocal][k] = (int) ubuf(buf[m++]).i;
} else if (style[nv] == DARRAY) { } else if (style[nv] == DARRAY) {
ncol = cols[nv]; ncol = cols[nv];
for (k = 0; k < ncol; k++) for (k = 0; k < ncol; k++)
atom->darray[index[nv]][nlocal][k] = buf[m++]; atom->darray[index[nv]][nlocal][k] = buf[m++];
} }
} }
@ -768,11 +768,11 @@ int FixPropertyAtom::pack_restart(int i, double *buf)
else if (style[nv] == IARRAY) { else if (style[nv] == IARRAY) {
ncol = cols[nv]; ncol = cols[nv];
for (k = 0; k < ncol; k++) for (k = 0; k < ncol; k++)
buf[m++] = ubuf(atom->iarray[index[nv]][i][k]).d; buf[m++] = ubuf(atom->iarray[index[nv]][i][k]).d;
} else if (style[nv] == DARRAY) { } else if (style[nv] == DARRAY) {
ncol = cols[nv]; ncol = cols[nv];
for (k = 0; k < ncol; k++) for (k = 0; k < ncol; k++)
buf[m++] = atom->darray[index[nv]][i][k]; buf[m++] = atom->darray[index[nv]][i][k];
} }
} }
@ -809,11 +809,11 @@ void FixPropertyAtom::unpack_restart(int nlocal, int nth)
else if (style[nv] == IARRAY) { else if (style[nv] == IARRAY) {
ncol = cols[nv]; ncol = cols[nv];
for (k = 0; k < ncol; k++) for (k = 0; k < ncol; k++)
atom->iarray[index[nv]][nlocal][k] = (int) ubuf(extra[nlocal][m++]).i; atom->iarray[index[nv]][nlocal][k] = (int) ubuf(extra[nlocal][m++]).i;
} else if (style[nv] == DARRAY) { } else if (style[nv] == DARRAY) {
ncol = cols[nv]; ncol = cols[nv];
for (k = 0; k < ncol; k++) for (k = 0; k < ncol; k++)
atom->darray[index[nv]][nlocal][k] = extra[nlocal][m++]; atom->darray[index[nv]][nlocal][k] = extra[nlocal][m++];
} }
} }
} }