message: Minor fix to avoid potentially adding an uninitialized value to energy in
  eval_deriv_gpu
diff: @@ -174,6 +174,7 @@ fl gpu_data::eval_deriv_gpu(const GPUNonCacheInfo& info, const vec& v,
  // t.resume();
  fl e, ie;
  if (threadIdx.x == 0) {
  + ie = 0;
  set_conf_kernel<<<1,treegpu->num_atoms>>>(treegpu,
  atom_coords, (vec*)coords, c);
  memset(minus_forces, 0, sizeof(force_energy_tup) *
  