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

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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
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14
src/compute_rdf.cpp
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@ -87,9 +87,9 @@ ComputeRDF::ComputeRDF(LAMMPS *lmp, int narg, char **arg) :
for (j = jlo[m]; j <= jhi[m]; j++)
rdfpair[nrdfpair[i][j]++][i][j] = m;
hist = memory->create_2d_double_array(npairs,nbin,"rdf:hist");
histall = memory->create_2d_double_array(npairs,nbin,"rdf:histall");
array = memory->create_2d_double_array(nbin,1+2*npairs,"rdf:array");
memory->create(hist,npairs,nbin,"rdf:hist");
memory->create(histall,npairs,nbin,"rdf:histall");
memory->create(array,nbin,1+2*npairs,"rdf:array");
typecount = new int[ntypes+1];
icount = new int[npairs];
jcount = new int[npairs];
@ -100,14 +100,14 @@ ComputeRDF::ComputeRDF(LAMMPS *lmp, int narg, char **arg) :
ComputeRDF::~ComputeRDF()
{
memory->destroy(rdfpair);
memory->destroy_2d_int_array(nrdfpair);
memory->destroy(nrdfpair);
delete [] ilo;
delete [] ihi;
delete [] jlo;
delete [] jhi;
memory->destroy_2d_double_array(hist);
memory->destroy_2d_double_array(histall);
memory->destroy_2d_double_array(array);
memory->destroy(hist);
memory->destroy(histall);
memory->destroy(array);
delete [] typecount;
delete [] icount;
delete [] jcount;