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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6709 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2011-08-17 21:25:29 +00:00
parent c30f2bcbc6
commit 775f182d1f
12 changed files with 35 additions and 24 deletions
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5
src/DIPOLE/atom_vec_dipole.cpp
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@ -16,6 +16,7 @@
#include "stdlib.h"
#include "atom_vec_dipole.h"
#include "atom.h"
#include "comm.h"
#include "domain.h"
#include "modify.h"
#include "fix.h"
@ -67,7 +68,7 @@ void AtomVecDipole::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,3*comm->nthreads,"atom:f");
q = memory->grow(atom->q,nmax,"atom:q");
mu = memory->grow(atom->mu,nmax,4,"atom:mu");
@ -821,7 +822,7 @@ bigint AtomVecDipole::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,3*comm->nthreads);
if (atom->memcheck("q")) bytes += memory->usage(q,nmax);
if (atom->memcheck("mu")) bytes += memory->usage(mu,nmax,4);

5
src/MOLECULE/atom_vec_angle.cpp
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@ -14,6 +14,7 @@
#include "stdlib.h"
#include "atom_vec_angle.h"
#include "atom.h"
#include "comm.h"
#include "domain.h"
#include "modify.h"
#include "fix.h"
@ -68,7 +69,7 @@ void AtomVecAngle::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,3*comm->nthreads,"atom:f");
molecule = memory->grow(atom->molecule,nmax,"atom:molecule");
@ -815,7 +816,7 @@ bigint AtomVecAngle::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,3*comm->nthreads);
if (atom->memcheck("molecule")) bytes += memory->usage(molecule,nmax);
if (atom->memcheck("nspecial")) bytes += memory->usage(nspecial,nmax,3);

5
src/MOLECULE/atom_vec_bond.cpp
View File

@ -15,6 +15,7 @@
#include "stdlib.h"
#include "atom_vec_bond.h"
#include "atom.h"
#include "comm.h"
#include "domain.h"
#include "modify.h"
#include "fix.h"
@ -69,7 +70,7 @@ void AtomVecBond::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,3*comm->nthreads,"atom:f");
molecule = memory->grow(atom->molecule,nmax,"atom:molecule");
@ -773,7 +774,7 @@ bigint AtomVecBond::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,3*comm->nthreads);
if (atom->memcheck("molecule")) bytes += memory->usage(molecule,nmax);
if (atom->memcheck("nspecial")) bytes += memory->usage(nspecial,nmax,3);

6
src/MOLECULE/atom_vec_full.cpp
View File

@ -15,6 +15,7 @@
#include "stdlib.h"
#include "atom_vec_full.h"
#include "atom.h"
#include "comm.h"
#include "domain.h"
#include "modify.h"
#include "fix.h"
@ -68,8 +69,7 @@ void AtomVecFull::grow(int n)
mask = memory->grow(atom->mask,nmax,"atom:mask");
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,3*comm->nthreads,"atom:f");
q = memory->grow(atom->q,nmax,"atom:q");
molecule = memory->grow(atom->molecule,nmax,"atom:molecule");
@ -985,7 +985,7 @@ bigint AtomVecFull::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,3*comm->nthreads);
if (atom->memcheck("q")) bytes += memory->usage(q,nmax);
if (atom->memcheck("molecule")) bytes += memory->usage(molecule,nmax);

5
src/MOLECULE/atom_vec_molecular.cpp
View File

@ -15,6 +15,7 @@
#include "stdlib.h"
#include "atom_vec_molecular.h"
#include "atom.h"
#include "comm.h"
#include "domain.h"
#include "modify.h"
#include "fix.h"
@ -69,7 +70,7 @@ void AtomVecMolecular::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,3*comm->nthreads,"atom:f");
molecule = memory->grow(atom->molecule,nmax,"atom:molecule");
@ -965,7 +966,7 @@ bigint AtomVecMolecular::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,3*comm->nthreads);
if (atom->memcheck("molecule")) bytes += memory->usage(molecule,nmax);
if (atom->memcheck("nspecial")) bytes += memory->usage(nspecial,nmax,3);

5
src/PERI/atom_vec_peri.cpp
View File

@ -20,6 +20,7 @@
#include "stdlib.h"
#include "atom_vec_peri.h"
#include "atom.h"
#include "comm.h"
#include "domain.h"
#include "modify.h"
#include "fix.h"
@ -71,7 +72,7 @@ void AtomVecPeri::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,3*comm->nthreads,"atom:f");
vfrac = memory->grow(atom->vfrac,nmax,"atom:vfrac");
rmass = memory->grow(atom->rmass,nmax,"atom:rmass");
@ -823,7 +824,7 @@ bigint AtomVecPeri::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,3*comm->nthreads);
if (atom->memcheck("vfrac")) bytes += memory->usage(vfrac,nmax);
if (atom->memcheck("rmass")) bytes += memory->usage(rmass,nmax);

5
src/USER-AWPMD/atom_vec_wavepacket.cpp
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@ -19,6 +19,7 @@
#include "stdlib.h"
#include "atom_vec_wavepacket.h"
#include "atom.h"
#include "comm.h"
#include "domain.h"
#include "modify.h"
#include "force.h"
@ -77,7 +78,7 @@ void AtomVecWavepacket::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,3*comm->nthreads,"atom:f");
q = memory->grow(atom->q,nmax,"atom:q");
spin = memory->grow(atom->spin,nmax,"atom:spin");
@ -990,7 +991,7 @@ bigint AtomVecWavepacket::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,3*comm->nthreads);
if (atom->memcheck("q")) bytes += memory->usage(q,nmax);
if (atom->memcheck("spin")) bytes += memory->usage(spin,nmax);

5
src/USER-EFF/atom_vec_electron.cpp
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@ -19,6 +19,7 @@
#include "stdlib.h"
#include "atom_vec_electron.h"
#include "atom.h"
#include "comm.h"
#include "domain.h"
#include "modify.h"
#include "force.h"
@ -71,7 +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,"atom:f");
f = memory->grow(atom->f,nmax,3*comm->nthreads,"atom:f");
q = memory->grow(atom->q,nmax,"atom:q");
spin = memory->grow(atom->spin,nmax,"atom:spin");
@ -838,7 +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);
if (atom->memcheck("f")) bytes += memory->usage(f,nmax,3*comm->nthreads);
if (atom->memcheck("q")) bytes += memory->usage(q,nmax);
if (atom->memcheck("spin")) bytes += memory->usage(spin,nmax);

3
src/atom_vec_atomic.cpp
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@ -15,6 +15,7 @@
#include "stdlib.h"
#include "atom_vec_atomic.h"
#include "atom.h"
#include "comm.h"
#include "domain.h"
#include "modify.h"
#include "fix.h"
@ -63,7 +64,7 @@ void AtomVecAtomic::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,3*comm->nthreads,"atom:f");
if (atom->nextra_grow)
for (int iextra = 0; iextra < atom->nextra_grow; iextra++)

5
src/atom_vec_charge.cpp
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@ -15,6 +15,7 @@
#include "stdlib.h"
#include "atom_vec_charge.h"
#include "atom.h"
#include "comm.h"
#include "domain.h"
#include "modify.h"
#include "fix.h"
@ -65,7 +66,7 @@ void AtomVecCharge::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,3*comm->nthreads,"atom:f");
q = memory->grow(atom->q,nmax,"atom:q");
@ -694,7 +695,7 @@ bigint AtomVecCharge::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,3*comm->nthreads);
if (atom->memcheck("q")) bytes += memory->usage(q,nmax);

5
src/atom_vec_ellipsoid.cpp
View File

@ -20,6 +20,7 @@
#include "atom_vec_ellipsoid.h"
#include "math_extra.h"
#include "atom.h"
#include "comm.h"
#include "force.h"
#include "domain.h"
#include "modify.h"
@ -85,7 +86,7 @@ void AtomVecEllipsoid::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,3*comm->nthreads,"atom:f");
rmass = memory->grow(atom->rmass,nmax,"atom:rmass");
angmom = memory->grow(atom->angmom,nmax,3,"atom:angmom");
@ -1245,7 +1246,7 @@ bigint AtomVecEllipsoid::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,3*comm->nthreads);
if (atom->memcheck("rmass")) bytes += memory->usage(rmass,nmax);
if (atom->memcheck("angmom")) bytes += memory->usage(angmom,nmax,3);

5
src/atom_vec_sphere.cpp
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@ -17,6 +17,7 @@
#include "string.h"
#include "atom_vec_sphere.h"
#include "atom.h"
#include "comm.h"
#include "domain.h"
#include "modify.h"
#include "force.h"
@ -96,7 +97,7 @@ void AtomVecSphere::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,3*comm->nthreads,"atom:f");
radius = memory->grow(atom->radius,nmax,"atom:radius");
rmass = memory->grow(atom->rmass,nmax,"atom:rmass");
@ -1047,7 +1048,7 @@ bigint AtomVecSphere::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,3*comm->nthreads);
if (atom->memcheck("radius")) bytes += memory->usage(radius,nmax);
if (atom->memcheck("rmass")) bytes += memory->usage(rmass,nmax);