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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7184 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2011-10-24 20:28:02 +00:00
parent 11806a92a1
commit c6bbdcfbf2
71 changed files with 279 additions and 190 deletions
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11
src/atom_vec_line.cpp
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@ -17,6 +17,7 @@
#include "string.h"
#include "atom_vec_line.h"
#include "atom.h"
#include "comm.h"
#include "domain.h"
#include "modify.h"
#include "force.h"
@ -83,6 +84,8 @@ void AtomVecLine::grow(int n)
if (n == 0) nmax += DELTA;
else nmax = n;
atom->nmax = nmax;
if (nmax < 0 || nmax > MAXSMALLINT)
error->one(FLERR,"Per-processor system is too big");
tag = memory->grow(atom->tag,nmax,"atom:tag");
type = memory->grow(atom->type,nmax,"atom:type");
@ -90,12 +93,12 @@ void AtomVecLine::grow(int n)
image = memory->grow(atom->image,nmax,"atom:image");
x = memory->grow(atom->x,nmax,3,"atom:x");
v = memory->grow(atom->v,nmax,3,"atom:v");
f = memory->grow(atom->f,nmax,3,"atom:f");
f = memory->grow(atom->f,nmax*comm->nthreads,3,"atom:f");
molecule = memory->grow(atom->molecule,nmax,"atom:molecule");
rmass = memory->grow(atom->rmass,nmax,"atom:rmass");
omega = memory->grow(atom->omega,nmax,3,"atom:omega");
torque = memory->grow(atom->torque,nmax,3,"atom:torque");
torque = memory->grow(atom->torque,nmax*comm->nthreads,3,"atom:torque");
line = memory->grow(atom->line,nmax,"atom:line");
if (atom->nextra_grow)
@ -1115,12 +1118,12 @@ bigint AtomVecLine::memory_usage()
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("f")) bytes += memory->usage(f,nmax*comm->nthreads,3);
if (atom->memcheck("molecule")) bytes += memory->usage(molecule,nmax);
if (atom->memcheck("rmass")) bytes += memory->usage(rmass,nmax);
if (atom->memcheck("omega")) bytes += memory->usage(omega,nmax,3);
if (atom->memcheck("torque")) bytes += memory->usage(torque,nmax,3);
if (atom->memcheck("torque")) bytes += memory->usage(torque,nmax*comm->nthreads,3);
if (atom->memcheck("line")) bytes += memory->usage(line,nmax);
bytes += nmax_bonus*sizeof(Bonus);