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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1409 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2008-01-21 23:04:37 +00:00
parent 00b4e8aedd
commit b67ae025cc
4 changed files with 80 additions and 10 deletions
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64
src/ASPHERE/atom_vec_ellipsoid.cpp
View File

@ -158,6 +158,17 @@ int AtomVecEllipsoid::pack_comm(int n, int *list, double *buf,
/* ---------------------------------------------------------------------- */
int AtomVecEllipsoid::pack_comm_one(int i, double *buf)
{
buf[0] = quat[i][0];
buf[1] = quat[i][1];
buf[2] = quat[i][2];
buf[3] = quat[i][3];
return 4;
}
/* ---------------------------------------------------------------------- */
void AtomVecEllipsoid::unpack_comm(int n, int first, double *buf)
{
int i,m,last;
@ -177,6 +188,17 @@ void AtomVecEllipsoid::unpack_comm(int n, int first, double *buf)
/* ---------------------------------------------------------------------- */
int AtomVecEllipsoid::unpack_comm_one(int i, double *buf)
{
quat[i][0] = buf[0];
quat[i][1] = buf[1];
quat[i][2] = buf[2];
quat[i][3] = buf[3];
return 4;
}
/* ---------------------------------------------------------------------- */
int AtomVecEllipsoid::pack_reverse(int n, int first, double *buf)
{
int i,m,last;
@ -196,6 +218,16 @@ int AtomVecEllipsoid::pack_reverse(int n, int first, double *buf)
/* ---------------------------------------------------------------------- */
int AtomVecEllipsoid::pack_reverse_one(int i, double *buf)
{
buf[0] = torque[i][0];
buf[1] = torque[i][1];
buf[2] = torque[i][2];
return 3;
}
/* ---------------------------------------------------------------------- */
void AtomVecEllipsoid::unpack_reverse(int n, int *list, double *buf)
{
int i,j,m;
@ -214,6 +246,16 @@ void AtomVecEllipsoid::unpack_reverse(int n, int *list, double *buf)
/* ---------------------------------------------------------------------- */
int AtomVecEllipsoid::unpack_reverse_one(int i, double *buf)
{
torque[i][0] += buf[0];
torque[i][1] += buf[1];
torque[i][2] += buf[2];
return 3;
}
/* ---------------------------------------------------------------------- */
int AtomVecEllipsoid::pack_border(int n, int *list, double *buf,
int pbc_flag, int *pbc)
{
@ -264,6 +306,17 @@ int AtomVecEllipsoid::pack_border(int n, int *list, double *buf,
/* ---------------------------------------------------------------------- */
int AtomVecEllipsoid::pack_border_one(int i, double *buf)
{
buf[0] = quat[i][0];
buf[1] = quat[i][1];
buf[2] = quat[i][2];
buf[3] = quat[i][3];
return 4;
}
/* ---------------------------------------------------------------------- */
void AtomVecEllipsoid::unpack_border(int n, int first, double *buf)
{
int i,m,last;
@ -285,6 +338,17 @@ void AtomVecEllipsoid::unpack_border(int n, int first, double *buf)
}
}
/* ---------------------------------------------------------------------- */
int AtomVecEllipsoid::unpack_border_one(int i, double *buf)
{
quat[i][0] = buf[0];
quat[i][1] = buf[1];
quat[i][2] = buf[2];
quat[i][3] = buf[3];
return 4;
}
/* ----------------------------------------------------------------------
pack data for atom I for sending to another proc
xyz must be 1st 3 values, so comm::exchange() can test on them

14
src/ASPHERE/atom_vec_ellipsoid.h
View File

@ -24,12 +24,18 @@ class AtomVecEllipsoid : public AtomVec {
virtual ~AtomVecEllipsoid() {}
void grow(int);
void copy(int, int);
virtual int pack_comm(int, int *, double *, int, int *);
virtual void unpack_comm(int, int, double *);
int pack_comm(int, int *, double *, int, int *);
int pack_comm_one(int, double *);
void unpack_comm(int, int, double *);
int unpack_comm_one(int, double *);
int pack_reverse(int, int, double *);
int pack_reverse_one(int, double *);
void unpack_reverse(int, int *, double *);
virtual int pack_border(int, int *, double *, int, int *);
virtual void unpack_border(int, int, double *);
int unpack_reverse_one(int, double *);
int pack_border(int, int *, double *, int, int *);
int pack_border_one(int, double *);
void unpack_border(int, int, double *);
int unpack_border_one(int, double *);
int pack_exchange(int, double *);
int unpack_exchange(double *);
int size_restart();

6
src/DIPOLE/atom_vec_dipole.cpp
View File

@ -240,9 +240,9 @@ void AtomVecDipole::unpack_reverse(int n, int *list, double *buf)
int AtomVecDipole::unpack_reverse_one(int i, double *buf)
{
torque[i][0] = buf[0];
torque[i][1] = buf[1];
torque[i][2] = buf[2];
torque[i][0] += buf[0];
torque[i][1] += buf[1];
torque[i][2] += buf[2];
return 3;
}

6
src/GRANULAR/atom_vec_granular.cpp
View File

@ -264,9 +264,9 @@ void AtomVecGranular::unpack_reverse(int n, int *list, double *buf)
int AtomVecGranular::unpack_reverse_one(int i, double *buf)
{
torque[i][0] = buf[0];
torque[i][1] = buf[1];
torque[i][2] = buf[2];
torque[i][0] += buf[0];
torque[i][1] += buf[1];
torque[i][2] += buf[2];
return 3;
}