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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2277 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2008-12-03 22:18:28 +00:00
parent 7cde07f8ee
commit f5ee92cad1
1 changed files with 22 additions and 5 deletions
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27
src/fix_rigid.cpp
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@ -539,14 +539,31 @@ void FixRigid::init()
MPI_Allreduce(sum[0],all[0],6*nbody,MPI_DOUBLE,MPI_SUM,world);
for (ibody = 0; ibody < nbody; ibody++) {
if (fabs(all[ibody][0]-inertia[ibody][0]) > TOLERANCE ||
fabs(all[ibody][1]-inertia[ibody][1]) > TOLERANCE ||
fabs(all[ibody][2]-inertia[ibody][2]) > TOLERANCE)
error->all("Bad principal moments");
if (inertia[ibody][0] == 0.0) {
if (fabs(all[ibody][0]) > TOLERANCE)
error->all("Fix rigid: Bad principal moments");
} else {
if (fabs((all[ibody][0]-inertia[ibody][0])/inertia[ibody][0]) >
TOLERANCE) error->all("Fix rigid: Bad principal moments");
}
if (inertia[ibody][1] == 0.0) {
if (fabs(all[ibody][1]) > TOLERANCE)
error->all("Fix rigid: Bad principal moments");
} else {
if (fabs((all[ibody][1]-inertia[ibody][1])/inertia[ibody][1]) >
TOLERANCE) error->all("Fix rigid: Bad principal moments");
}
if (inertia[ibody][2] == 0.0) {
if (fabs(all[ibody][2]) > TOLERANCE)
error->all("Fix rigid: Bad principal moments");
} else {
if (fabs((all[ibody][2]-inertia[ibody][2])/inertia[ibody][2]) >
TOLERANCE) error->all("Fix rigid: Bad principal moments");
}
if (fabs(all[ibody][3]) > TOLERANCE ||
fabs(all[ibody][4]) > TOLERANCE ||
fabs(all[ibody][5]) > TOLERANCE)
error->all("Bad principal moments");
error->all("Fix rigid: Bad principal moments");
}
}