message: Fixed commenting out full indexing of gradients in test
diff: @@ -77,10 +77,10 @@ void test_set_atom_gradients() {
  //compare results
  for (size_t i=0; i<mol_atoms.size(); ++i) {
  - // for (size_t j=0; j<3; ++j) {
  - BOOST_REQUIRE_SMALL(cpu_transform.mol.gradient[i].x-
  - transform.mol.gradient[i].x, (float)0.01);
  - // }
  + for (size_t j=0; j<3; ++j) {
  + BOOST_REQUIRE_SMALL(cpu_transform.mol.gradient[i][j]-
  + transform.mol.gradient[i][j], (float)0.01);
  + }
  }
  cudaFree(gpu_diff);
  }
  