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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6209 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2011-05-23 14:04:44 +00:00
parent 69786dc452
commit e97e40698a
12 changed files with 122 additions and 100 deletions
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src/atom.cpp
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@ -1446,11 +1446,11 @@ void Atom::setup_sort_bins()
double vol = (domain->boxhi[0]-domain->boxlo[0]) *
(domain->boxhi[1]-domain->boxlo[1]) *
(domain->boxhi[2]-domain->boxlo[2]);
binsize = pow(CUDA_CHUNK/natoms*vol,1.0/3.0);
binsize = pow(1.0*CUDA_CHUNK/natoms*vol,1.0/3.0);
} else {
double area = (domain->boxhi[0]-domain->boxlo[0]) *
(domain->boxhi[1]-domain->boxlo[1]);
binsize = pow(CUDA_CHUNK/natoms*area,1.0/2.0);
binsize = pow(1.0*CUDA_CHUNK/natoms*area,1.0/2.0);
}
} else binsize = 0.5 * neighbor->cutneighmax;
if (binsize == 0.0) error->all("Atom sorting has bin size = 0.0");