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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5793 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2011-03-16 20:03:49 +00:00
parent 8dad49156d
commit 09c391fb2d
80 changed files with 391 additions and 365 deletions
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54
src/MOLECULE/atom_vec_angle.cpp
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@ -11,7 +11,6 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include "lmptype.h"
#include "stdlib.h"
#include "atom_vec_angle.h"
#include "atom.h"
@ -795,37 +794,38 @@ int AtomVecAngle::data_atom_hybrid(int nlocal, char **values)
return # of bytes of allocated memory
------------------------------------------------------------------------- */
double AtomVecAngle::memory_usage()
bigint AtomVecAngle::memory_usage()
{
double bytes = 0.0;
bigint bytes = 0;
if (atom->memcheck("tag")) bytes += nmax * sizeof(int);
if (atom->memcheck("type")) bytes += nmax * sizeof(int);
if (atom->memcheck("mask")) bytes += nmax * sizeof(int);
if (atom->memcheck("image")) bytes += nmax * sizeof(int);
if (atom->memcheck("x")) bytes += nmax*3 * sizeof(double);
if (atom->memcheck("v")) bytes += nmax*3 * sizeof(double);
if (atom->memcheck("f")) bytes += nmax*3 * sizeof(double);
if (atom->memcheck("tag")) bytes += memory->usage(tag,nmax);
if (atom->memcheck("type")) bytes += memory->usage(type,nmax);
if (atom->memcheck("mask")) bytes += memory->usage(mask,nmax);
if (atom->memcheck("image")) bytes += memory->usage(image,nmax);
if (atom->memcheck("x")) bytes += memory->usage(x,nmax,3);
if (atom->memcheck("v")) bytes += memory->usage(v,nmax,3);
if (atom->memcheck("f")) bytes += memory->usage(f,nmax,3);
if (atom->memcheck("molecule")) bytes += nmax * sizeof(int);
if (atom->memcheck("nspecial")) bytes += nmax*3 * sizeof(int);
if (atom->memcheck("special")) bytes += nmax*atom->maxspecial * sizeof(int);
if (atom->memcheck("molecule")) bytes += memory->usage(molecule,nmax);
if (atom->memcheck("nspecial")) bytes += memory->usage(nspecial,nmax,3);
if (atom->memcheck("special"))
bytes += memory->usage(special,nmax,atom->maxspecial);
if (atom->memcheck("num_bond")) bytes += nmax * sizeof(int);
if (atom->memcheck("bond_type"))
bytes += nmax*atom->bond_per_atom * sizeof(int);
if (atom->memcheck("bond_atom"))
bytes += nmax*atom->bond_per_atom * sizeof(int);
if (atom->memcheck("num_bond")) bytes += memory->usage(num_bond,nmax);
if (atom->memcheck("bond_type"))
bytes += memory->usage(bond_type,nmax,atom->bond_per_atom);
if (atom->memcheck("bond_atom"))
bytes += memory->usage(bond_atom,nmax,atom->bond_per_atom);
if (atom->memcheck("num_angle")) bytes += nmax * sizeof(int);
if (atom->memcheck("angle_type"))
bytes += nmax*atom->angle_per_atom * sizeof(int);
if (atom->memcheck("angle_atom1"))
bytes += nmax*atom->angle_per_atom * sizeof(int);
if (atom->memcheck("angle_atom2"))
bytes += nmax*atom->angle_per_atom * sizeof(int);
if (atom->memcheck("angle_atom3"))
bytes += nmax*atom->angle_per_atom * sizeof(int);
if (atom->memcheck("num_angle")) bytes += memory->usage(num_angle,nmax);
if (atom->memcheck("angle_type"))
bytes += memory->usage(angle_type,nmax,atom->angle_per_atom);
if (atom->memcheck("angle_atom1"))
bytes += memory->usage(angle_atom1,nmax,atom->angle_per_atom);
if (atom->memcheck("angle_atom2"))
bytes += memory->usage(angle_atom2,nmax,atom->angle_per_atom);
if (atom->memcheck("angle_atom3"))
bytes += memory->usage(angle_atom3,nmax,atom->angle_per_atom);
return bytes;
}