diff --git a/lammps/main-stub.c b/lammps/main-stub.c index a6973f3..2e8f1ff 100644 --- a/lammps/main-stub.c +++ b/lammps/main-stub.c @@ -47,7 +47,7 @@ void init(Parameter *param) { param->ny = 1; param->nz = 1; param->lattice = 1.0; - param->cutforce = 5.0; + param->cutforce = 1000000.0; param->cutneigh = param->cutforce; param->mass = 1.0; // Unused @@ -224,9 +224,9 @@ int main(int argc, const char *argv[]) { } atom->type[atom->Nlocal] = rand() % atom->ntypes; - atom_x(atom->Nlocal) = (MD_FLOAT)(i); - atom_y(atom->Nlocal) = (MD_FLOAT)(i); - atom_z(atom->Nlocal) = (MD_FLOAT)(i); + atom_x(atom->Nlocal) = (MD_FLOAT)(i) * 0.00001; + atom_y(atom->Nlocal) = (MD_FLOAT)(i) * 0.00001; + atom_z(atom->Nlocal) = (MD_FLOAT)(i) * 0.00001; atom->vx[atom->Nlocal] = 0.0; atom->vy[atom->Nlocal] = 0.0; atom->vz[atom->Nlocal] = 0.0;