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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12709 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2014-11-17 23:49:07 +00:00
parent 2e4c2f9c47
commit 32699b0983
3 changed files with 15 additions and 4 deletions
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4
src/GRANULAR/pair_gran_hertz_history.cpp
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@ -418,13 +418,13 @@ double PairGranHertzHistory::single(int i, int j, int itype, int jtype,
// reset neighprev to 0 as necessary
int jnum = list->numneigh[i];
int *touch = list->listgranhistory->firstneigh[i];
int *jlist = list->firstneigh[i];
double *allshear = list->listgranhistory->firstdouble[i];
for (int jj = 0; jj < jnum; jj++) {
neighprev++;
if (neighprev >= jnum) neighprev = 0;
if (touch[neighprev] == j) break;
if (jlist[neighprev] == j) break;
}
double *shear = &allshear[3*neighprev];

4
src/GRANULAR/pair_gran_hooke_history.cpp
View File

@ -711,13 +711,13 @@ double PairGranHookeHistory::single(int i, int j, int itype, int jtype,
// reset neighprev to 0 as necessary
int jnum = list->numneigh[i];
int *touch = list->listgranhistory->firstneigh[i];
int *jlist = list->firstneigh[i];
double *allshear = list->listgranhistory->firstdouble[i];
for (int jj = 0; jj < jnum; jj++) {
neighprev++;
if (neighprev >= jnum) neighprev = 0;
if (touch[neighprev] == j) break;
if (jlist[neighprev] == j) break;
}
double *shear = &allshear[3*neighprev];

11
src/MISC/fix_deposit.cpp
View File

@ -96,6 +96,13 @@ FixDeposit::FixDeposit(LAMMPS *lmp, int narg, char **arg) :
error->all(FLERR,"Deposition region extends outside simulation box");
}
printf("BOUNDX %g %g: %g %g\n",xlo,xhi,
domain->boxlo_bound[0],domain->boxhi_bound[0]);
printf("BOUNDy %g %g: %g %g\n",ylo,yhi,
domain->boxlo_bound[1],domain->boxhi_bound[1]);
printf("BOUNDz %g %g: %g %g\n",zlo,zhi,
domain->boxlo_bound[2],domain->boxhi_bound[2]);
// error check and further setup for mode = MOLECULE
if (atom->tag_enable == 0)
@ -473,6 +480,10 @@ void FixDeposit::pre_exchange()
}
}
printf("INSERT %ld: %g %g %g: %g %g %g: %d\n",update->ntimestep,
coords[0][0],coords[0][1],coords[0][2],
newcoord[0],newcoord[1],newcoord[2],flag);
if (flag) {
if (mode == ATOM) atom->avec->create_atom(ntype,coords[m]);
else atom->avec->create_atom(ntype+onemols[imol]->type[m],coords[m]);