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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1602 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2008-03-17 20:49:18 +00:00
parent 85d81c4207
commit d4f14ea20b
7 changed files with 71 additions and 33 deletions
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24
src/fix_add_force.cpp
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@ -30,6 +30,9 @@ FixAddForce::FixAddForce(LAMMPS *lmp, int narg, char **arg) :
xvalue = atof(arg[3]);
yvalue = atof(arg[4]);
zvalue = atof(arg[5]);
force_flag = 0;
foriginal[0] = foriginal[1] = foriginal[2] = 0.0;
}
/* ---------------------------------------------------------------------- */
@ -79,8 +82,14 @@ void FixAddForce::post_force(int vflag)
int *mask = atom->mask;
int nlocal = atom->nlocal;
foriginal[0] = foriginal[1] = foriginal[2] = 0.0;
force_flag = 0;
for (int i = 0; i < nlocal; i++)
if (mask[i] & groupbit) {
foriginal[0] += f[i][0];
foriginal[1] += f[i][1];
foriginal[2] += f[i][2];
f[i][0] += xvalue;
f[i][1] += yvalue;
f[i][2] += zvalue;
@ -100,3 +109,18 @@ void FixAddForce::min_post_force(int vflag)
{
post_force(vflag);
}
/* ----------------------------------------------------------------------
return components of total force on fix group before force was changed
------------------------------------------------------------------------- */
double FixAddForce::compute_vector(int n)
{
// only sum across procs one time
if (force_flag == 0) {
MPI_Allreduce(foriginal,foriginal_all,3,MPI_DOUBLE,MPI_SUM,world);
force_flag = 1;
}
return foriginal_all[n];
}