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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5836 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2011-03-26 00:50:29 +00:00
parent fbb475b9cd
commit 1f2a7add78
131 changed files with 1278 additions and 1496 deletions
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38
src/fix_ave_spatial.cpp
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@ -394,13 +394,13 @@ FixAveSpatial::~FixAveSpatial()
if (fp && me == 0) fclose(fp);
memory->sfree(varatom);
memory->sfree(bin);
memory->destroy(varatom);
memory->destroy(bin);
memory->sfree(count_one);
memory->sfree(count_many);
memory->sfree(count_sum);
memory->sfree(count_total);
memory->destroy(count_one);
memory->destroy(count_many);
memory->destroy(count_sum);
memory->destroy(count_total);
memory->destroy(coord);
memory->destroy(count_list);
memory->destroy(values_one);
@ -524,9 +524,8 @@ void FixAveSpatial::end_of_step()
if (nlocal > maxatom) {
maxatom = atom->nmax;
memory->sfree(bin);
bin = (int *)
memory->smalloc(maxatom*sizeof(int),"ave/spatial:bin");
memory->destroy(bin);
memory->create(bin,maxatom,"ave/spatial:bin");
}
if (ndim == 1) atom2bin1d();
@ -651,9 +650,8 @@ void FixAveSpatial::end_of_step()
} else if (which[m] == VARIABLE) {
if (nlocal > maxvar) {
maxvar = atom->nmax;
memory->sfree(varatom);
varatom = (double *)
memory->smalloc(maxvar*sizeof(double),"ave/spatial:varatom");
memory->destroy(varatom);
memory->create(varatom,maxvar,"ave/spatial:varatom");
}
input->variable->compute_atom(n,igroup,varatom,1,0);
@ -882,18 +880,10 @@ void FixAveSpatial::setup_bins()
if (nbins > maxbin) {
maxbin = nbins;
count_one = (double *)
memory->srealloc(count_one,nbins*sizeof(double),
"ave/spatial:count_one");
count_many = (double *)
memory->srealloc(count_many,nbins*sizeof(double),
"ave/spatial:count_many");
count_sum = (double *)
memory->srealloc(count_sum,nbins*sizeof(double),
"ave/spatial:count_sum");
count_total = (double *)
memory->srealloc(count_total,nbins*sizeof(double),
"ave/spatial:count_total");
memory->grow(count_one,nbins,"ave/spatial:count_one");
memory->grow(count_many,nbins,"ave/spatial:count_many");
memory->grow(count_sum,nbins,"ave/spatial:count_sum");
memory->grow(count_total,nbins,"ave/spatial:count_total");
memory->grow(coord,nbins,ndim,"ave/spatial:coord");
memory->grow(values_one,nbins,nvalues,"ave/spatial:values_one");