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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5833 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2011-03-25 19:40:12 +00:00
parent 1511c8b10b
commit 50b8413fe7
19 changed files with 118 additions and 388 deletions
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7
src/compute_rdf.cpp
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@ -52,9 +52,8 @@ ComputeRDF::ComputeRDF(LAMMPS *lmp, int narg, char **arg) :
size_array_cols = 1 + 2*npairs;
int ntypes = atom->ntypes;
rdfpair = memory->create_3d_int_array(npairs,ntypes+1,ntypes+1,
"rdf:rdfpair");
nrdfpair = memory->create_2d_int_array(ntypes+1,ntypes+1,"rdf:nrdfpair");
memory->create(rdfpair,npairs,ntypes+1,ntypes+1,"rdf:rdfpair");
memory->create(nrdfpair,ntypes+1,ntypes+1,"rdf:nrdfpair");
ilo = new int[npairs];
ihi = new int[npairs];
jlo = new int[npairs];
@ -100,7 +99,7 @@ ComputeRDF::ComputeRDF(LAMMPS *lmp, int narg, char **arg) :
ComputeRDF::~ComputeRDF()
{
memory->destroy_3d_int_array(rdfpair);
memory->destroy(rdfpair);
memory->destroy_2d_int_array(nrdfpair);
delete [] ilo;
delete [] ihi;