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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11192 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2014-01-08 20:38:38 +00:00
parent 1924cc47bf
commit 21833c99de
8 changed files with 272 additions and 69 deletions
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4
src/MISC/fix_deposit.cpp
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@ -100,7 +100,7 @@ FixDeposit::FixDeposit(LAMMPS *lmp, int narg, char **arg) :
if (mode == MOLECULE) {
if (atom->molecule_flag == 0)
error->all(FLERR,"Fix deposit requires atom attribute molecule");
error->all(FLERR,"Fix deposit mol requires atom attribute molecule");
if (onemol->xflag == 0)
error->all(FLERR,"Fix deposit molecule must have coordinates");
if (onemol->typeflag == 0)
@ -444,7 +444,7 @@ void FixDeposit::pre_exchange()
else atom->avec->create_atom(ntype+onemol->type[m],coords[m]);
n = atom->nlocal - 1;
atom->tag[n] = maxtag_all + m+1;
if (mode == MOLECULE) atom->molecule[n] = maxmol_all;
if (mode == MOLECULE) atom->molecule[n] = maxmol_all+1;
atom->mask[n] = 1 | groupbit;
atom->image[n] = imageflags[m];
atom->v[n][0] = vnew[0];