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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8398 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2012-06-25 23:31:14 +00:00
parent 83784f8381
commit dfb51e6b00
14 changed files with 751 additions and 750 deletions
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8
src/DIPOLE/atom_vec_dipole.cpp
View File

@ -576,7 +576,7 @@ int AtomVecDipole::pack_exchange(int i, double *buf)
buf[m++] = tag[i];
buf[m++] = type[i];
buf[m++] = mask[i];
buf[m++] = image[i];
*((tagint *) &buf[m++]) = image[i];
buf[m++] = q[i];
buf[m++] = mu[i][0];
@ -609,7 +609,7 @@ int AtomVecDipole::unpack_exchange(double *buf)
tag[nlocal] = static_cast<int> (buf[m++]);
type[nlocal] = static_cast<int> (buf[m++]);
mask[nlocal] = static_cast<int> (buf[m++]);
image[nlocal] = static_cast<tagint> (buf[m++]);
image[nlocal] = *((tagint *) &buf[m++]);
q[nlocal] = buf[m++];
mu[nlocal][0] = buf[m++];
@ -661,7 +661,7 @@ int AtomVecDipole::pack_restart(int i, double *buf)
buf[m++] = tag[i];
buf[m++] = type[i];
buf[m++] = mask[i];
buf[m++] = image[i];
*((tagint *) &buf[m++]) = image[i];
buf[m++] = v[i][0];
buf[m++] = v[i][1];
buf[m++] = v[i][2];
@ -700,7 +700,7 @@ int AtomVecDipole::unpack_restart(double *buf)
tag[nlocal] = static_cast<int> (buf[m++]);
type[nlocal] = static_cast<int> (buf[m++]);
mask[nlocal] = static_cast<int> (buf[m++]);
image[nlocal] = static_cast<tagint> (buf[m++]);
image[nlocal] = *((tagint *) &buf[m++]);
v[nlocal][0] = buf[m++];
v[nlocal][1] = buf[m++];
v[nlocal][2] = buf[m++];

8
src/MOLECULE/atom_vec_angle.cpp
View File

@ -528,7 +528,7 @@ int AtomVecAngle::pack_exchange(int i, double *buf)
buf[m++] = tag[i];
buf[m++] = type[i];
buf[m++] = mask[i];
buf[m++] = image[i];
*((tagint *) &buf[m++]) = image[i];
buf[m++] = molecule[i];
@ -578,7 +578,7 @@ int AtomVecAngle::unpack_exchange(double *buf)
tag[nlocal] = static_cast<int> (buf[m++]);
type[nlocal] = static_cast<int> (buf[m++]);
mask[nlocal] = static_cast<int> (buf[m++]);
image[nlocal] = static_cast<tagint> (buf[m++]);
image[nlocal] = *((tagint *) &buf[m++]);
molecule[nlocal] = static_cast<int> (buf[m++]);
@ -650,7 +650,7 @@ int AtomVecAngle::pack_restart(int i, double *buf)
buf[m++] = tag[i];
buf[m++] = type[i];
buf[m++] = mask[i];
buf[m++] = image[i];
*((tagint *) &buf[m++]) = image[i];
buf[m++] = v[i][0];
buf[m++] = v[i][1];
buf[m++] = v[i][2];
@ -701,7 +701,7 @@ int AtomVecAngle::unpack_restart(double *buf)
tag[nlocal] = static_cast<int> (buf[m++]);
type[nlocal] = static_cast<int> (buf[m++]);
mask[nlocal] = static_cast<int> (buf[m++]);
image[nlocal] = static_cast<tagint> (buf[m++]);
image[nlocal] = *((tagint *) &buf[m++]);
v[nlocal][0] = buf[m++];
v[nlocal][1] = buf[m++];
v[nlocal][2] = buf[m++];

8
src/MOLECULE/atom_vec_bond.cpp
View File

@ -507,7 +507,7 @@ int AtomVecBond::pack_exchange(int i, double *buf)
buf[m++] = tag[i];
buf[m++] = type[i];
buf[m++] = mask[i];
buf[m++] = image[i];
*((tagint *) &buf[m++]) = image[i];
buf[m++] = molecule[i];
@ -549,7 +549,7 @@ int AtomVecBond::unpack_exchange(double *buf)
tag[nlocal] = static_cast<int> (buf[m++]);
type[nlocal] = static_cast<int> (buf[m++]);
mask[nlocal] = static_cast<int> (buf[m++]);
image[nlocal] = static_cast<tagint> (buf[m++]);
image[nlocal] = *((tagint *) &buf[m++]);
molecule[nlocal] = static_cast<int> (buf[m++]);
@ -613,7 +613,7 @@ int AtomVecBond::pack_restart(int i, double *buf)
buf[m++] = tag[i];
buf[m++] = type[i];
buf[m++] = mask[i];
buf[m++] = image[i];
*((tagint *) &buf[m++]) = image[i];
buf[m++] = v[i][0];
buf[m++] = v[i][1];
buf[m++] = v[i][2];
@ -656,7 +656,7 @@ int AtomVecBond::unpack_restart(double *buf)
tag[nlocal] = static_cast<int> (buf[m++]);
type[nlocal] = static_cast<int> (buf[m++]);
mask[nlocal] = static_cast<int> (buf[m++]);
image[nlocal] = static_cast<tagint> (buf[m++]);
image[nlocal] = *((tagint *) &buf[m++]);
v[nlocal][0] = buf[m++];
v[nlocal][1] = buf[m++];
v[nlocal][2] = buf[m++];

8
src/MOLECULE/atom_vec_full.cpp
View File

@ -597,7 +597,7 @@ int AtomVecFull::pack_exchange(int i, double *buf)
buf[m++] = tag[i];
buf[m++] = type[i];
buf[m++] = mask[i];
buf[m++] = image[i];
*((tagint *) &buf[m++]) = image[i];
buf[m++] = q[i];
buf[m++] = molecule[i];
@ -666,7 +666,7 @@ int AtomVecFull::unpack_exchange(double *buf)
tag[nlocal] = static_cast<int> (buf[m++]);
type[nlocal] = static_cast<int> (buf[m++]);
mask[nlocal] = static_cast<int> (buf[m++]);
image[nlocal] = static_cast<tagint> (buf[m++]);
image[nlocal] = *((tagint *) &buf[m++]);
q[nlocal] = buf[m++];
molecule[nlocal] = static_cast<int> (buf[m++]);
@ -758,7 +758,7 @@ int AtomVecFull::pack_restart(int i, double *buf)
buf[m++] = tag[i];
buf[m++] = type[i];
buf[m++] = mask[i];
buf[m++] = image[i];
*((tagint *) &buf[m++]) = image[i];
buf[m++] = v[i][0];
buf[m++] = v[i][1];
buf[m++] = v[i][2];
@ -828,7 +828,7 @@ int AtomVecFull::unpack_restart(double *buf)
tag[nlocal] = static_cast<int> (buf[m++]);
type[nlocal] = static_cast<int> (buf[m++]);
mask[nlocal] = static_cast<int> (buf[m++]);
image[nlocal] = static_cast<tagint> (buf[m++]);
image[nlocal] = *((tagint *) &buf[m++]);
v[nlocal][0] = buf[m++];
v[nlocal][1] = buf[m++];
v[nlocal][2] = buf[m++];

8
src/MOLECULE/atom_vec_molecular.cpp
View File

@ -585,7 +585,7 @@ int AtomVecMolecular::pack_exchange(int i, double *buf)
buf[m++] = tag[i];
buf[m++] = type[i];
buf[m++] = mask[i];
buf[m++] = image[i];
*((tagint *) &buf[m++]) = image[i];
buf[m++] = molecule[i];
@ -653,7 +653,7 @@ int AtomVecMolecular::unpack_exchange(double *buf)
tag[nlocal] = static_cast<int> (buf[m++]);
type[nlocal] = static_cast<int> (buf[m++]);
mask[nlocal] = static_cast<int> (buf[m++]);
image[nlocal] = static_cast<tagint> (buf[m++]);
image[nlocal] = *((tagint *) &buf[m++]);
molecule[nlocal] = static_cast<int> (buf[m++]);
@ -744,7 +744,7 @@ int AtomVecMolecular::pack_restart(int i, double *buf)
buf[m++] = tag[i];
buf[m++] = type[i];
buf[m++] = mask[i];
buf[m++] = image[i];
*((tagint *) &buf[m++]) = image[i];
buf[m++] = v[i][0];
buf[m++] = v[i][1];
buf[m++] = v[i][2];
@ -813,7 +813,7 @@ int AtomVecMolecular::unpack_restart(double *buf)
tag[nlocal] = static_cast<int> (buf[m++]);
type[nlocal] = static_cast<int> (buf[m++]);
mask[nlocal] = static_cast<int> (buf[m++]);
image[nlocal] = static_cast<tagint> (buf[m++]);
image[nlocal] = *((tagint *) &buf[m++]);
v[nlocal][0] = buf[m++];
v[nlocal][1] = buf[m++];
v[nlocal][2] = buf[m++];

8
src/PERI/atom_vec_peri.cpp
View File

@ -567,7 +567,7 @@ int AtomVecPeri::pack_exchange(int i, double *buf)
buf[m++] = tag[i];
buf[m++] = type[i];
buf[m++] = mask[i];
buf[m++] = image[i];
*((tagint *) &buf[m++]) = image[i];
buf[m++] = vfrac[i];
buf[m++] = rmass[i];
@ -601,7 +601,7 @@ int AtomVecPeri::unpack_exchange(double *buf)
tag[nlocal] = static_cast<int> (buf[m++]);
type[nlocal] = static_cast<int> (buf[m++]);
mask[nlocal] = static_cast<int> (buf[m++]);
image[nlocal] = static_cast<tagint> (buf[m++]);
image[nlocal] = *((tagint *) &buf[m++]);
vfrac[nlocal] = buf[m++];
rmass[nlocal] = buf[m++];
@ -655,7 +655,7 @@ int AtomVecPeri::pack_restart(int i, double *buf)
buf[m++] = tag[i];
buf[m++] = type[i];
buf[m++] = mask[i];
buf[m++] = image[i];
*((tagint *) &buf[m++]) = image[i];
buf[m++] = v[i][0];
buf[m++] = v[i][1];
buf[m++] = v[i][2];
@ -695,7 +695,7 @@ int AtomVecPeri::unpack_restart(double *buf)
tag[nlocal] = static_cast<int> (buf[m++]);
type[nlocal] = static_cast<int> (buf[m++]);
mask[nlocal] = static_cast<int> (buf[m++]);
image[nlocal] = static_cast<tagint> (buf[m++]);
image[nlocal] = *((tagint *) &buf[m++]);
v[nlocal][0] = buf[m++];
v[nlocal][1] = buf[m++];
v[nlocal][2] = buf[m++];

8
src/USER-EFF/atom_vec_electron.cpp
View File

@ -576,7 +576,7 @@ int AtomVecElectron::pack_exchange(int i, double *buf)
buf[m++] = tag[i];
buf[m++] = type[i];
buf[m++] = mask[i];
buf[m++] = image[i];
*((tagint *) &buf[m++]) = image[i];
buf[m++] = q[i];
buf[m++] = spin[i];
buf[m++] = eradius[i];
@ -607,7 +607,7 @@ int AtomVecElectron::unpack_exchange(double *buf)
tag[nlocal] = static_cast<int> (buf[m++]);
type[nlocal] = static_cast<int> (buf[m++]);
mask[nlocal] = static_cast<int> (buf[m++]);
image[nlocal] = static_cast<tagint> (buf[m++]);
image[nlocal] = *((tagint *) &buf[m++]);
q[nlocal] = buf[m++];
spin[nlocal] = static_cast<int> (buf[m++]);
eradius[nlocal] = buf[m++];
@ -657,7 +657,7 @@ int AtomVecElectron::pack_restart(int i, double *buf)
buf[m++] = tag[i];
buf[m++] = type[i];
buf[m++] = mask[i];
buf[m++] = image[i];
*((tagint *) &buf[m++]) = image[i];
buf[m++] = v[i][0];
buf[m++] = v[i][1];
buf[m++] = v[i][2];
@ -695,7 +695,7 @@ int AtomVecElectron::unpack_restart(double *buf)
tag[nlocal] = static_cast<int> (buf[m++]);
type[nlocal] = static_cast<int> (buf[m++]);
mask[nlocal] = static_cast<int> (buf[m++]);
image[nlocal] = static_cast<tagint> (buf[m++]);
image[nlocal] = *((tagint *) &buf[m++]);
v[nlocal][0] = buf[m++];
v[nlocal][1] = buf[m++];
v[nlocal][2] = buf[m++];

1398
src/USER-SPH/atom_vec_meso.cpp
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File diff suppressed because it is too large Load Diff

8
src/atom_vec_atomic.cpp
View File

@ -438,7 +438,7 @@ int AtomVecAtomic::pack_exchange(int i, double *buf)
buf[m++] = tag[i];
buf[m++] = type[i];
buf[m++] = mask[i];
buf[m++] = image[i];
*((tagint *) &buf[m++]) = image[i];
if (atom->nextra_grow)
for (int iextra = 0; iextra < atom->nextra_grow; iextra++)
@ -465,7 +465,7 @@ int AtomVecAtomic::unpack_exchange(double *buf)
tag[nlocal] = static_cast<int> (buf[m++]);
type[nlocal] = static_cast<int> (buf[m++]);
mask[nlocal] = static_cast<int> (buf[m++]);
image[nlocal] = static_cast<tagint> (buf[m++]);
image[nlocal] = *((tagint *) &buf[m++]);
if (atom->nextra_grow)
for (int iextra = 0; iextra < atom->nextra_grow; iextra++)
@ -511,7 +511,7 @@ int AtomVecAtomic::pack_restart(int i, double *buf)
buf[m++] = tag[i];
buf[m++] = type[i];
buf[m++] = mask[i];
buf[m++] = image[i];
*((tagint *) &buf[m++]) = image[i];
buf[m++] = v[i][0];
buf[m++] = v[i][1];
buf[m++] = v[i][2];
@ -544,7 +544,7 @@ int AtomVecAtomic::unpack_restart(double *buf)
tag[nlocal] = static_cast<int> (buf[m++]);
type[nlocal] = static_cast<int> (buf[m++]);
mask[nlocal] = static_cast<int> (buf[m++]);
image[nlocal] = static_cast<tagint> (buf[m++]);
image[nlocal] = *((tagint *) &buf[m++]);
v[nlocal][0] = buf[m++];
v[nlocal][1] = buf[m++];
v[nlocal][2] = buf[m++];

7
src/atom_vec_charge.cpp
View File

@ -480,6 +480,7 @@ int AtomVecCharge::pack_exchange(int i, double *buf)
buf[m++] = type[i];
buf[m++] = mask[i];
buf[m++] = image[i];
*((tagint *) &buf[m++]) = image[i];
buf[m++] = q[i];
@ -508,7 +509,7 @@ int AtomVecCharge::unpack_exchange(double *buf)
tag[nlocal] = static_cast<int> (buf[m++]);
type[nlocal] = static_cast<int> (buf[m++]);
mask[nlocal] = static_cast<int> (buf[m++]);
image[nlocal] = static_cast<tagint> (buf[m++]);
image[nlocal] = *((tagint *) &buf[m++]);
q[nlocal] = buf[m++];
@ -556,7 +557,7 @@ int AtomVecCharge::pack_restart(int i, double *buf)
buf[m++] = tag[i];
buf[m++] = type[i];
buf[m++] = mask[i];
buf[m++] = image[i];
*((tagint *) &buf[m++]) = image[i];
buf[m++] = v[i][0];
buf[m++] = v[i][1];
buf[m++] = v[i][2];
@ -591,7 +592,7 @@ int AtomVecCharge::unpack_restart(double *buf)
tag[nlocal] = static_cast<int> (buf[m++]);
type[nlocal] = static_cast<int> (buf[m++]);
mask[nlocal] = static_cast<int> (buf[m++]);
image[nlocal] = static_cast<tagint> (buf[m++]);
image[nlocal] = *((tagint *) &buf[m++]);
v[nlocal][0] = buf[m++];
v[nlocal][1] = buf[m++];
v[nlocal][2] = buf[m++];

8
src/atom_vec_ellipsoid.cpp
View File

@ -872,7 +872,7 @@ int AtomVecEllipsoid::pack_exchange(int i, double *buf)
buf[m++] = tag[i];
buf[m++] = type[i];
buf[m++] = mask[i];
buf[m++] = image[i];
*((tagint *) &buf[m++]) = image[i];
buf[m++] = rmass[i];
buf[m++] = angmom[i][0];
@ -919,7 +919,7 @@ int AtomVecEllipsoid::unpack_exchange(double *buf)
tag[nlocal] = static_cast<int> (buf[m++]);
type[nlocal] = static_cast<int> (buf[m++]);
mask[nlocal] = static_cast<int> (buf[m++]);
image[nlocal] = static_cast<tagint> (buf[m++]);
image[nlocal] = *((tagint *) &buf[m++]);
rmass[nlocal] = buf[m++];
angmom[nlocal][0] = buf[m++];
@ -990,7 +990,7 @@ int AtomVecEllipsoid::pack_restart(int i, double *buf)
buf[m++] = tag[i];
buf[m++] = type[i];
buf[m++] = mask[i];
buf[m++] = image[i];
*((tagint *) &buf[m++]) = image[i];
buf[m++] = v[i][0];
buf[m++] = v[i][1];
buf[m++] = v[i][2];
@ -1041,7 +1041,7 @@ int AtomVecEllipsoid::unpack_restart(double *buf)
tag[nlocal] = static_cast<int> (buf[m++]);
type[nlocal] = static_cast<int> (buf[m++]);
mask[nlocal] = static_cast<int> (buf[m++]);
image[nlocal] = static_cast<tagint> (buf[m++]);
image[nlocal] = *((tagint *) &buf[m++]);
v[nlocal][0] = buf[m++];
v[nlocal][1] = buf[m++];
v[nlocal][2] = buf[m++];

8
src/atom_vec_line.cpp
View File

@ -752,7 +752,7 @@ int AtomVecLine::pack_exchange(int i, double *buf)
buf[m++] = tag[i];
buf[m++] = type[i];
buf[m++] = mask[i];
buf[m++] = image[i];
*((tagint *) &buf[m++]) = image[i];
buf[m++] = molecule[i];
buf[m++] = rmass[i];
@ -793,7 +793,7 @@ int AtomVecLine::unpack_exchange(double *buf)
tag[nlocal] = static_cast<int> (buf[m++]);
type[nlocal] = static_cast<int> (buf[m++]);
mask[nlocal] = static_cast<int> (buf[m++]);
image[nlocal] = static_cast<tagint> (buf[m++]);
image[nlocal] = *((tagint *) &buf[m++]);
molecule[nlocal] = static_cast<int> (buf[m++]);
rmass[nlocal] = buf[m++];
@ -858,7 +858,7 @@ int AtomVecLine::pack_restart(int i, double *buf)
buf[m++] = tag[i];
buf[m++] = type[i];
buf[m++] = mask[i];
buf[m++] = image[i];
*((tagint *) &buf[m++]) = image[i];
buf[m++] = v[i][0];
buf[m++] = v[i][1];
buf[m++] = v[i][2];
@ -905,7 +905,7 @@ int AtomVecLine::unpack_restart(double *buf)
tag[nlocal] = static_cast<int> (buf[m++]);
type[nlocal] = static_cast<int> (buf[m++]);
mask[nlocal] = static_cast<int> (buf[m++]);
image[nlocal] = static_cast<tagint> (buf[m++]);
image[nlocal] = *((tagint *) &buf[m++]);
v[nlocal][0] = buf[m++];
v[nlocal][1] = buf[m++];
v[nlocal][2] = buf[m++];

8
src/atom_vec_sphere.cpp
View File

@ -761,7 +761,7 @@ int AtomVecSphere::pack_exchange(int i, double *buf)
buf[m++] = tag[i];
buf[m++] = type[i];
buf[m++] = mask[i];
buf[m++] = image[i];
*((tagint *) &buf[m++]) = image[i];
buf[m++] = radius[i];
buf[m++] = rmass[i];
@ -794,7 +794,7 @@ int AtomVecSphere::unpack_exchange(double *buf)
tag[nlocal] = static_cast<int> (buf[m++]);
type[nlocal] = static_cast<int> (buf[m++]);
mask[nlocal] = static_cast<int> (buf[m++]);
image[nlocal] = static_cast<tagint> (buf[m++]);
image[nlocal] = *((tagint *) &buf[m++]);
radius[nlocal] = buf[m++];
rmass[nlocal] = buf[m++];
@ -846,7 +846,7 @@ int AtomVecSphere::pack_restart(int i, double *buf)
buf[m++] = tag[i];
buf[m++] = type[i];
buf[m++] = mask[i];
buf[m++] = image[i];
*((tagint *) &buf[m++]) = image[i];
buf[m++] = v[i][0];
buf[m++] = v[i][1];
buf[m++] = v[i][2];
@ -885,7 +885,7 @@ int AtomVecSphere::unpack_restart(double *buf)
tag[nlocal] = static_cast<int> (buf[m++]);
type[nlocal] = static_cast<int> (buf[m++]);
mask[nlocal] = static_cast<int> (buf[m++]);
image[nlocal] = static_cast<tagint> (buf[m++]);
image[nlocal] = *((tagint *) &buf[m++]);
v[nlocal][0] = buf[m++];
v[nlocal][1] = buf[m++];
v[nlocal][2] = buf[m++];

8
src/atom_vec_tri.cpp
View File

@ -1027,7 +1027,7 @@ int AtomVecTri::pack_exchange(int i, double *buf)
buf[m++] = tag[i];
buf[m++] = type[i];
buf[m++] = mask[i];
buf[m++] = image[i];
*((tagint *) &buf[m++]) = image[i];
buf[m++] = molecule[i];
buf[m++] = rmass[i];
@ -1087,7 +1087,7 @@ int AtomVecTri::unpack_exchange(double *buf)
tag[nlocal] = static_cast<int> (buf[m++]);
type[nlocal] = static_cast<int> (buf[m++]);
mask[nlocal] = static_cast<int> (buf[m++]);
image[nlocal] = static_cast<tagint> (buf[m++]);
image[nlocal] = *((tagint *) &buf[m++]);
molecule[nlocal] = static_cast<int> (buf[m++]);
rmass[nlocal] = buf[m++];
@ -1171,7 +1171,7 @@ int AtomVecTri::pack_restart(int i, double *buf)
buf[m++] = tag[i];
buf[m++] = type[i];
buf[m++] = mask[i];
buf[m++] = image[i];
*((tagint *) &buf[m++]) = image[i];
buf[m++] = v[i][0];
buf[m++] = v[i][1];
buf[m++] = v[i][2];
@ -1237,7 +1237,7 @@ int AtomVecTri::unpack_restart(double *buf)
tag[nlocal] = static_cast<int> (buf[m++]);
type[nlocal] = static_cast<int> (buf[m++]);
mask[nlocal] = static_cast<int> (buf[m++]);
image[nlocal] = static_cast<tagint> (buf[m++]);
image[nlocal] = *((tagint *) &buf[m++]);
v[nlocal][0] = buf[m++];
v[nlocal][1] = buf[m++];
v[nlocal][2] = buf[m++];