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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11836 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2014-04-29 21:30:31 +00:00
parent 838fbc7cdc
commit 08ff12cc49
1 changed files with 9 additions and 9 deletions
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18
src/MISC/fix_deposit.cpp
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@ -466,17 +466,17 @@ void FixDeposit::pre_exchange()
for (j = 0; j < nfix; j++)
if (fix[j]->create_attribute) fix[j]->set_arrays(n);
}
// FixRigidSmall::set_molecule stores rigid body attributes
// coord is new position of geometric center of mol, not COM
// FixShake::set_molecule stores shake info for molecule
if (rigidflag)
fixrigid->set_molecule(nlocalprev,maxtag_all,coord,vnew,quat);
else if (shakeflag)
fixshake->set_molecule(nlocalprev,maxtag_all,coord,vnew,quat);
}
// FixRigidSmall::set_molecule stores rigid body attributes
// coord is new position of geometric center of mol, not COM
// FixShake::set_molecule stores shake info for molecule
if (rigidflag)
fixrigid->set_molecule(nlocalprev,maxtag_all,coord,vnew,quat);
else if (shakeflag)
fixshake->set_molecule(nlocalprev,maxtag_all,coord,vnew,quat);
// old code: unsuccessful if no proc performed insertion of an atom
// don't think that check is necessary
// if get this far, should always be succesful