message: Subgrid generation tests passing for CPU and GPU.
diff: @@ -167,9 +167,9 @@ void test_subcube_grids() {
  //now subcube grid, CPU first
  Dtype* rnndata = new Dtype[gsize];
  RNNGridMaker rnngmaker;
  - rnngmaker.ntypes = ntypes;
  param->set_subgrid_dim(subcube_dim);
  rnngmaker.initialize(*param);
  + rnngmaker.ntypes = ntypes;
  rnngmaker.setCenter(center[0], center[1], center[2]);
  rnngmaker.setAtomsCPU(transform.mol.atoms, transform.mol.whichGrid, transform.Q.boost(),
  &rnndata[0], ntypes);
  @@ -215,6 +215,7 @@ void test_subcube_grids() {
  unsigned rel_z = k % subgrid_dim_in_points;
  unsigned grid_idx = (((subgrid_idx_x * grids_per_dim) +
  subgrid_idx_y) * grids_per_dim + subgrid_idx_z);
  + p_args.log << "grid_idx: " << grid_idx << " type: " << type << " rel_x: " << rel_x << " rel_y: " << rel_y << " rel_z: " << rel_z << "\n";
  p_args.log << "CPU full grid " << grids[type][i][j][k] << " CPU subcube grid " <<
  rnngrids[grid_idx][type][rel_x][rel_y][rel_z] << " GPU subcube grid " <<
  rnngrids_gpu[grid_idx][type][rel_x][rel_y][rel_z] << "\n";
  