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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11250 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2014-01-17 18:43:09 +00:00
parent 961be6ee48
commit bad19033d0
172 changed files with 2523 additions and 2184 deletions
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16
src/MISC/fix_deposit.cpp
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@ -488,16 +488,18 @@ void FixDeposit::pre_exchange()
if (success) {
atom->natoms += natom;
if (atom->natoms < 0 || atom->natoms > MAXBIGINT)
error->all(FLERR,"Too many total atoms");
if (mode == MOLECULE) {
atom->nbonds += onemol->nbonds;
atom->nangles += onemol->nangles;
atom->ndihedrals += onemol->ndihedrals;
atom->nimpropers += onemol->nimpropers;
}
if (idnext) {
maxtag_all += natom;
if (mode == MOLECULE && atom->molecule_flag) maxmol_all++;
}
maxtag_all += natom;
if (maxtag_all >= MAXTAGINT)
error->all(FLERR,"New atom IDs exceed maximum allowed ID");
if (mode == MOLECULE && atom->molecule_flag) maxmol_all++;
if (atom->map_style) {
atom->nghost = 0;
atom->map_init();
@ -520,13 +522,13 @@ void FixDeposit::pre_exchange()
void FixDeposit::find_maxid()
{
int *tag = atom->tag;
tagint *tag = atom->tag;
int *molecule = atom->molecule;
int nlocal = atom->nlocal;
int max = 0;
tagint max = 0;
for (int i = 0; i < nlocal; i++) max = MAX(max,tag[i]);
MPI_Allreduce(&max,&maxtag_all,1,MPI_INT,MPI_MAX,world);
MPI_Allreduce(&max,&maxtag_all,1,MPI_LMP_TAGINT,MPI_MAX,world);
if (mode == MOLECULE && molecule) {
max = 0;