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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6780 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2011-08-24 14:11:14 +00:00
parent 816f984ec7
commit 029a4d2df2
13 changed files with 31 additions and 31 deletions
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4
src/USER-EFF/atom_vec_electron.cpp
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@ -72,7 +72,7 @@ void AtomVecElectron::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*comm->nthreads,"atom:f");
f = memory->grow(atom->f,nmax*comm->nthreads,3,"atom:f");
q = memory->grow(atom->q,nmax,"atom:q");
spin = memory->grow(atom->spin,nmax,"atom:spin");
@ -839,7 +839,7 @@ bigint AtomVecElectron::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*comm->nthreads);
if (atom->memcheck("f")) bytes += memory->usage(f,nmax*comm->nthreads,3);
if (atom->memcheck("q")) bytes += memory->usage(q,nmax);
if (atom->memcheck("spin")) bytes += memory->usage(spin,nmax);