ICODE-ADC/lammps
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more additions to USER atom styles and bug fixes

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This commit is contained in:
Steve Plimpton
2019-12-13 13:54:12 -07:00
parent 9af08f2d54
commit db6d272303
29 changed files with 218 additions and 1289 deletions
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6
src/atom_vec_tri.cpp
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@ -38,7 +38,7 @@ AtomVecTri::AtomVecTri(LAMMPS *lmp) : AtomVec(lmp)
size_forward_bonus = 4;
size_border_bonus = 17;
size_restart_bonus_one = 16;
size_restart_bonus_one = 17;
size_data_bonus = 10;
atom->tri_flag = 1;
@ -64,7 +64,7 @@ AtomVecTri::AtomVecTri(LAMMPS *lmp) : AtomVec(lmp)
fields_border_vel = (char *) "molecule radius rmass omega";
fields_exchange = (char *) "molecule radius rmass omega angmom";
fields_restart = (char *) "molecule radius rmass omega angmom";
fields_create = (char *) "molecule radius rmass omega angmom line";
fields_create = (char *) "molecule radius rmass omega angmom tri";
fields_data_atom = (char *) "id molecule type tri rmass x";
fields_data_vel = (char *) "id v omega angmom";
@ -381,7 +381,7 @@ int AtomVecTri::size_restart_bonus()
int nlocal = atom->nlocal;
for (i = 0; i < nlocal; i++) {
if (tri[i] >= 0) n += size_restart_bonus_one;
n++;
else n++;
}
return n;