ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5835 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2011-03-25 21:13:51 +00:00
parent e3cf018311
commit fbb475b9cd
149 changed files with 1402 additions and 1660 deletions
Download Patch File Download Diff File Expand all files Collapse all files

31
src/fix_ave_spatial.cpp
View File

@ -401,12 +401,12 @@ FixAveSpatial::~FixAveSpatial()
memory->sfree(count_many);
memory->sfree(count_sum);
memory->sfree(count_total);
memory->destroy_2d_double_array(coord);
memory->destroy_2d_double_array(count_list);
memory->destroy_2d_double_array(values_one);
memory->destroy_2d_double_array(values_many);
memory->destroy_2d_double_array(values_sum);
memory->destroy_2d_double_array(values_total);
memory->destroy(coord);
memory->destroy(count_list);
memory->destroy(values_one);
memory->destroy(values_many);
memory->destroy(values_sum);
memory->destroy(values_total);
memory->destroy(values_list);
}
@ -895,23 +895,16 @@ void FixAveSpatial::setup_bins()
memory->srealloc(count_total,nbins*sizeof(double),
"ave/spatial:count_total");
coord =
memory->grow_2d_double_array(coord,nbins,ndim,"ave/spatial:coord");
values_one = memory->grow_2d_double_array(values_one,nbins,nvalues,
"ave/spatial:values_one");
values_many = memory->grow_2d_double_array(values_many,nbins,nvalues,
"ave/spatial:values_many");
values_sum = memory->grow_2d_double_array(values_sum,nbins,nvalues,
"ave/spatial:values_sum");
values_total = memory->grow_2d_double_array(values_total,nbins,nvalues,
"ave/spatial:values_total");
memory->grow(coord,nbins,ndim,"ave/spatial:coord");
memory->grow(values_one,nbins,nvalues,"ave/spatial:values_one");
memory->grow(values_many,nbins,nvalues,"ave/spatial:values_many");
memory->grow(values_sum,nbins,nvalues,"ave/spatial:values_sum");
memory->grow(values_total,nbins,nvalues,"ave/spatial:values_total");
// only allocate count and values list for ave = WINDOW
if (ave == WINDOW) {
count_list =
memory->create_2d_double_array(nwindow,nbins,
"ave/spatial:count_list");
memory->create(count_list,nwindow,nbins,"ave/spatial:count_list");
memory->create(values_list,nwindow,nbins,nvalues,
"ave/spatial:values_list");
}