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whitespace cleanup

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This commit is contained in:
Axel Kohlmeyer
2018-06-18 17:54:04 -04:00
parent 83ae0ad26f
commit da5931d65d
20 changed files with 450 additions and 449 deletions
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40
src/SPIN/atom_vec_spin.cpp
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@ -16,10 +16,10 @@
/* ------------------------------------------------------------------------
Contributing authors: Julien Tranchida (SNL)
Aidan Thompson (SNL)
Please cite the related publication:
Tranchida, J., Plimpton, S. J., Thibaudeau, P., & Thompson, A. P. (2018).
Massively parallel symplectic algorithm for coupled magnetic spin dynamics
Tranchida, J., Plimpton, S. J., Thibaudeau, P., & Thompson, A. P. (2018).
Massively parallel symplectic algorithm for coupled magnetic spin dynamics
and molecular dynamics. arXiv preprint arXiv:1801.10233.
------------------------------------------------------------------------- */
@ -102,7 +102,7 @@ void AtomVecSpin::grow_reset()
{
tag = atom->tag; type = atom->type;
mask = atom->mask; image = atom->image;
x = atom->x; v = atom->v; f = atom->f;
x = atom->x; v = atom->v; f = atom->f;
sp = atom->sp; fm = atom->fm;
}
@ -361,7 +361,7 @@ void AtomVecSpin::unpack_reverse(int n, int *list, double *buf)
fm[j][0] += buf[m++];
fm[j][1] += buf[m++];
fm[j][2] += buf[m++];
}
}
}
/* ---------------------------------------------------------------------- */
@ -522,7 +522,7 @@ int AtomVecSpin::pack_border_hybrid(int n, int *list, double *buf)
buf[m++] = sp[j][2];
buf[m++] = sp[j][3];
}
return m;
}
@ -552,7 +552,7 @@ void AtomVecSpin::unpack_border(int n, int first, double *buf)
for (int iextra = 0; iextra < atom->nextra_border; iextra++)
m += modify->fix[atom->extra_border[iextra]]->
unpack_border(n,first,&buf[m]);
}
/* ---------------------------------------------------------------------- */
@ -584,7 +584,7 @@ void AtomVecSpin::unpack_border_vel(int n, int first, double *buf)
for (int iextra = 0; iextra < atom->nextra_border; iextra++)
m += modify->fix[atom->extra_border[iextra]]->
unpack_border(n,first,&buf[m]);
}
/* ---------------------------------------------------------------------- */
@ -601,7 +601,7 @@ int AtomVecSpin::unpack_border_hybrid(int n, int first, double *buf)
sp[i][2] = buf[m++];
sp[i][3] = buf[m++];
}
return m;
}
@ -667,7 +667,7 @@ int AtomVecSpin::unpack_exchange(double *buf)
unpack_exchange(nlocal,&buf[m]);
atom->nlocal++;
return m;
}
@ -784,7 +784,7 @@ void AtomVecSpin::create_atom(int itype, double *coord)
mask[nlocal] = 1;
image[nlocal] = ((imageint) IMGMAX << IMG2BITS) |
((imageint) IMGMAX << IMGBITS) | IMGMAX;
v[nlocal][0] = 0.0;
v[nlocal][0] = 0.0;
v[nlocal][1] = 0.0;
v[nlocal][2] = 0.0;
@ -843,7 +843,7 @@ void AtomVecSpin::data_atom(double *coord, imageint imagetmp, char **values)
int AtomVecSpin::data_atom_hybrid(int nlocal, char **values)
{
sp[nlocal][0] = atof(values[0]);
sp[nlocal][1] = atof(values[1]);
sp[nlocal][2] = atof(values[2]);
@ -854,7 +854,7 @@ int AtomVecSpin::data_atom_hybrid(int nlocal, char **values)
sp[nlocal][1] *= inorm;
sp[nlocal][2] *= inorm;
sp[nlocal][3] = atof(values[3]);
return 4;
}
@ -878,7 +878,7 @@ void AtomVecSpin::pack_data(double **buf)
buf[i][9] = ubuf((image[i] & IMGMASK) - IMGMAX).d;
buf[i][10] = ubuf((image[i] >> IMGBITS & IMGMASK) - IMGMAX).d;
buf[i][11] = ubuf((image[i] >> IMG2BITS) - IMGMAX).d;
}
}
}
/* ----------------------------------------------------------------------
@ -886,7 +886,7 @@ void AtomVecSpin::pack_data(double **buf)
------------------------------------------------------------------------- */
int AtomVecSpin::pack_data_hybrid(int i, double *buf)
{
{
buf[0] = sp[i][0];
buf[1] = sp[i][1];
buf[2] = sp[i][2];
@ -899,7 +899,7 @@ int AtomVecSpin::pack_data_hybrid(int i, double *buf)
------------------------------------------------------------------------- */
void AtomVecSpin::write_data(FILE *fp, int n, double **buf)
{
{
for (int i = 0; i < n; i++)
fprintf(fp,TAGINT_FORMAT \
" %d %-1.16e %-1.16e %-1.16e %-1.16e %-1.16e %-1.16e "
@ -908,7 +908,7 @@ void AtomVecSpin::write_data(FILE *fp, int n, double **buf)
buf[i][2],buf[i][3],buf[i][4],
buf[i][5],buf[i][6],buf[i][7],buf[i][8],
(int) ubuf(buf[i][10]).i,(int) ubuf(buf[i][11]).i,
(int) ubuf(buf[i][12]).i);
(int) ubuf(buf[i][12]).i);
}
/* ----------------------------------------------------------------------
@ -936,7 +936,7 @@ bigint AtomVecSpin::memory_usage()
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*comm->nthreads,3);
if (atom->memcheck("sp")) bytes += memory->usage(sp,nmax,4);
if (atom->memcheck("fm")) bytes += memory->usage(fm,nmax*comm->nthreads,3);
@ -945,8 +945,8 @@ bigint AtomVecSpin::memory_usage()
void AtomVecSpin::force_clear(int n, size_t nbytes)
{
memset(&atom->f[0][0],0,3*nbytes);
memset(&atom->fm[0][0],0,3*nbytes);
memset(&atom->f[0][0],0,3*nbytes);
memset(&atom->fm[0][0],0,3*nbytes);
}