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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5940 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2011-04-14 17:40:40 +00:00
parent f7ce52785b
commit 759ee1f3e8
26 changed files with 490 additions and 259 deletions
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88
src/atom_vec_sphere.cpp
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@ -363,13 +363,19 @@ int AtomVecSphere::pack_comm_vel(int n, int *list, double *buf,
/* ---------------------------------------------------------------------- */
int AtomVecSphere::pack_comm_one(int i, double *buf)
int AtomVecSphere::pack_comm_hybrid(int n, int *list, double *buf)
{
int i,j,m;
if (radvary == 0) return 0;
buf[0] = radius[i];
buf[1] = rmass[i];
return 2;
m = 0;
for (i = 0; i < n; i++) {
j = list[i];
buf[m++] = radius[i];
buf[m++] = rmass[i];
}
return m;
}
/* ---------------------------------------------------------------------- */
@ -440,13 +446,19 @@ void AtomVecSphere::unpack_comm_vel(int n, int first, double *buf)
/* ---------------------------------------------------------------------- */
int AtomVecSphere::unpack_comm_one(int i, double *buf)
int AtomVecSphere::unpack_comm_hybrid(int n, int first, double *buf)
{
int i,m,last;
if (radvary == 0) return 0;
radius[i] = buf[0];
rmass[i] = buf[1];
return 2;
m = 0;
last = first + n;
for (i = first; i < last; i++) {
radius[i] = buf[m++];
rmass[i] = buf[m++];
}
return m;
}
/* ---------------------------------------------------------------------- */
@ -470,12 +482,18 @@ int AtomVecSphere::pack_reverse(int n, int first, double *buf)
/* ---------------------------------------------------------------------- */
int AtomVecSphere::pack_reverse_one(int i, double *buf)
int AtomVecSphere::pack_reverse_hybrid(int n, int first, double *buf)
{
buf[0] = torque[i][0];
buf[1] = torque[i][1];
buf[2] = torque[i][2];
return 3;
int i,m,last;
m = 0;
last = first + n;
for (i = first; i < last; i++) {
buf[m++] = torque[i][0];
buf[m++] = torque[i][1];
buf[m++] = torque[i][2];
}
return m;
}
/* ---------------------------------------------------------------------- */
@ -498,12 +516,18 @@ void AtomVecSphere::unpack_reverse(int n, int *list, double *buf)
/* ---------------------------------------------------------------------- */
int AtomVecSphere::unpack_reverse_one(int i, double *buf)
int AtomVecSphere::unpack_reverse_hybrid(int n, int *list, double *buf)
{
torque[i][0] += buf[0];
torque[i][1] += buf[1];
torque[i][2] += buf[2];
return 3;
int i,j,m;
m = 0;
for (i = 0; i < n; i++) {
j = list[i];
torque[j][0] += buf[m++];
torque[j][1] += buf[m++];
torque[j][2] += buf[m++];
}
return m;
}
/* ---------------------------------------------------------------------- */
@ -641,11 +665,17 @@ int AtomVecSphere::pack_border_vel(int n, int *list, double *buf,
/* ---------------------------------------------------------------------- */
int AtomVecSphere::pack_border_one(int i, double *buf)
int AtomVecSphere::pack_border_hybrid(int n, int *list, double *buf)
{
buf[0] = radius[i];
buf[1] = rmass[i];
return 2;
int i,j,m;
m = 0;
for (i = 0; i < n; i++) {
j = list[i];
buf[m++] = radius[j];
buf[m++] = rmass[j];
}
return m;
}
/* ---------------------------------------------------------------------- */
@ -699,11 +729,17 @@ void AtomVecSphere::unpack_border_vel(int n, int first, double *buf)
/* ---------------------------------------------------------------------- */
int AtomVecSphere::unpack_border_one(int i, double *buf)
int AtomVecSphere::unpack_border_hybrid(int n, int first, double *buf)
{
radius[i] = buf[0];
rmass[i] = buf[1];
return 2;
int i,m,last;
m = 0;
last = first + n;
for (i = first; i < last; i++) {
radius[i] = buf[m++];
rmass[i] = buf[m++];
}
return m;
}
/* ----------------------------------------------------------------------