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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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10
src/compute_atom_molecule.cpp
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@ -146,10 +146,8 @@ ComputeAtomMolecule(LAMMPS *lmp, int narg, char **arg) :
size_vector = nmolecules;
extvector = 0;
} else {
aone = memory->create_2d_double_array(nmolecules,nvalues,
"atom/molecule:aone");
array = memory->create_2d_double_array(nmolecules,nvalues,
"atom/molecule:array");
memory->create(aone,nmolecules,nvalues,"atom/molecule:aone");
memory->create(array,nmolecules,nvalues,"atom/molecule:array");
array_flag = 1;
size_array_rows = nmolecules;
size_array_cols = nvalues;
@ -172,8 +170,8 @@ ComputeAtomMolecule::~ComputeAtomMolecule()
memory->sfree(vone);
memory->sfree(vector);
memory->destroy_2d_double_array(aone);
memory->destroy_2d_double_array(array);
memory->destroy(aone);
memory->destroy(array);
memory->sfree(scratch);
}