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remove trailing whitespace

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This commit is contained in:
Axel Kohlmeyer
2018-03-16 12:37:27 -04:00
parent ee862d8bf5
commit 59dbb49cf9
204 changed files with 1543 additions and 1543 deletions
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36
src/compute_global_atom.cpp
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@ -59,11 +59,11 @@ ComputeGlobalAtom::ComputeGlobalAtom(LAMMPS *lmp, int narg, char **arg) :
if (arg[iarg][0] == 'c') whichref = COMPUTE;
else if (arg[iarg][0] == 'f') whichref = FIX;
else if (arg[iarg][0] == 'v') whichref = VARIABLE;
int n = strlen(arg[iarg]);
char *suffix = new char[n];
strcpy(suffix,&arg[iarg][2]);
char *ptr = strchr(suffix,'[');
if (ptr) {
if (suffix[strlen(suffix)-1] != ']')
@ -71,7 +71,7 @@ ComputeGlobalAtom::ComputeGlobalAtom(LAMMPS *lmp, int narg, char **arg) :
indexref = atoi(ptr+1);
*ptr = '\0';
} else indexref = 0;
n = strlen(suffix) + 1;
idref = new char[n];
strcpy(idref,suffix);
@ -157,7 +157,7 @@ ComputeGlobalAtom::ComputeGlobalAtom(LAMMPS *lmp, int narg, char **arg) :
if (indexref && indexref > modify->compute[icompute]->size_peratom_cols)
error->all(FLERR,
"Compute global/atom compute array is accessed out-of-range");
} else if (whichref == FIX) {
int ifix = modify->find_fix(idref);
if (ifix < 0)
@ -286,7 +286,7 @@ void ComputeGlobalAtom::init()
error->all(FLERR,"Variable name for compute global/atom does not exist");
ref2index = ivariable;
}
for (int m = 0; m < nvalues; m++) {
if (which[m] == COMPUTE) {
int icompute = modify->find_compute(ids[m]);
@ -332,17 +332,17 @@ void ComputeGlobalAtom::compute_peratom()
memory->create(array_atom,nmax,nvalues,"global/atom:array_atom");
}
}
// setup current peratom indices
// integer indices are rounded down from double values
// indices are decremented from 1 to N -> 0 to N-1
int *mask = atom->mask;
int nlocal = atom->nlocal;
if (whichref == COMPUTE) {
Compute *compute = modify->compute[ref2index];
if (!(compute->invoked_flag & INVOKED_PERATOM)) {
compute->compute_peratom();
compute->invoked_flag |= INVOKED_PERATOM;
@ -351,42 +351,42 @@ void ComputeGlobalAtom::compute_peratom()
if (indexref == 0) {
double *compute_vector = compute->vector_atom;
for (i = 0; i < nlocal; i++)
if (mask[i] & groupbit)
if (mask[i] & groupbit)
indices[i] = static_cast<int> (compute_vector[i]) - 1;
} else {
double **compute_array = compute->array_atom;
int im1 = indexref - 1;
for (i = 0; i < nlocal; i++)
if (mask[i] & groupbit)
if (mask[i] & groupbit)
indices[i] = static_cast<int> (compute_array[i][im1]) - 1;
}
} else if (whichref == FIX) {
if (update->ntimestep % modify->fix[ref2index]->peratom_freq)
error->all(FLERR,"Fix used in compute global/atom not "
"computed at compatible time");
Fix *fix = modify->fix[ref2index];
if (indexref == 0) {
double *fix_vector = fix->vector_atom;
for (i = 0; i < nlocal; i++)
if (mask[i] & groupbit)
if (mask[i] & groupbit)
indices[i] = static_cast<int> (fix_vector[i]) - 1;
} else {
double **fix_array = fix->array_atom;
int im1 = indexref - 1;
for (i = 0; i < nlocal; i++)
if (mask[i] & groupbit)
if (mask[i] & groupbit)
indices[i] = static_cast<int> (fix_array[i][im1]) - 1;
}
} else if (whichref == VARIABLE) {
if (atom->nmax > nmax) {
nmax = atom->nmax;
memory->destroy(varatom);
memory->create(varatom,nmax,"global/atom:varatom");
}
input->variable->compute_atom(ref2index,igroup,varatom,1,0);
for (i = 0; i < nlocal; i++)
if (mask[i] & groupbit)
@ -410,7 +410,7 @@ void ComputeGlobalAtom::compute_peratom()
compute->compute_vector();
compute->invoked_flag |= INVOKED_VECTOR;
}
source = compute->vector;
vmax = compute->size_vector;
@ -468,7 +468,7 @@ void ComputeGlobalAtom::compute_peratom()
compute->compute_array();
compute->invoked_flag |= INVOKED_ARRAY;
}
double **compute_array = compute->array;
vmax = compute->size_array_rows;