/usr/local/lib/python3.8/dist-packages/ase/atoms.py:504: VisibleDeprecationWarning: Creating an ndarray from ragged nested sequences (which is a list-or-tuple of lists-or-tuples-or ndarrays with different lengths or shapes) is deprecated. If you meant to do this, you must specify 'dtype=object' when creating the ndarray.
  a = np.asarray(a)
/work/07753/dskarls/stampede2/jobs/dskarls/job-b394d92d-90cd-4e23-929d-0a3d83f32427-007-cfcffe9a-55eb-47d2-a429-3163fb6987ba/VC_303890932454_004-and-MO_815057898706_001-1652554243/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead
  nth[n], np.asscalar(val), yesno[is_continuous]
/work/07753/dskarls/stampede2/jobs/dskarls/job-b394d92d-90cd-4e23-929d-0a3d83f32427-007-cfcffe9a-55eb-47d2-a429-3163fb6987ba/VC_303890932454_004-and-MO_815057898706_001-1652554243/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead
  nth[n], np.asscalar(val), yesno[is_continuous]
/work/07753/dskarls/stampede2/jobs/dskarls/job-b394d92d-90cd-4e23-929d-0a3d83f32427-007-cfcffe9a-55eb-47d2-a429-3163fb6987ba/VC_303890932454_004-and-MO_815057898706_001-1652554243/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead
  nth[n], np.asscalar(val), yesno[is_continuous]
/work/07753/dskarls/stampede2/jobs/dskarls/job-b394d92d-90cd-4e23-929d-0a3d83f32427-007-cfcffe9a-55eb-47d2-a429-3163fb6987ba/VC_303890932454_004-and-MO_815057898706_001-1652554243/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead
  nth[n], np.asscalar(val), yesno[is_continuous]
/work/07753/dskarls/stampede2/jobs/dskarls/job-b394d92d-90cd-4e23-929d-0a3d83f32427-007-cfcffe9a-55eb-47d2-a429-3163fb6987ba/VC_303890932454_004-and-MO_815057898706_001-1652554243/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:677: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead
  e.append(np.asscalar(val))
/usr/local/lib/python3.8/dist-packages/ase/atoms.py:504: VisibleDeprecationWarning: Creating an ndarray from ragged nested sequences (which is a list-or-tuple of lists-or-tuples-or ndarrays with different lengths or shapes) is deprecated. If you meant to do this, you must specify 'dtype=object' when creating the ndarray.
  a = np.asarray(a)
/work/07753/dskarls/stampede2/jobs/dskarls/job-b394d92d-90cd-4e23-929d-0a3d83f32427-007-cfcffe9a-55eb-47d2-a429-3163fb6987ba/VC_303890932454_004-and-MO_815057898706_001-1652554243/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead
  nth[n], np.asscalar(val), yesno[is_continuous]
/work/07753/dskarls/stampede2/jobs/dskarls/job-b394d92d-90cd-4e23-929d-0a3d83f32427-007-cfcffe9a-55eb-47d2-a429-3163fb6987ba/VC_303890932454_004-and-MO_815057898706_001-1652554243/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead
  nth[n], np.asscalar(val), yesno[is_continuous]
/work/07753/dskarls/stampede2/jobs/dskarls/job-b394d92d-90cd-4e23-929d-0a3d83f32427-007-cfcffe9a-55eb-47d2-a429-3163fb6987ba/VC_303890932454_004-and-MO_815057898706_001-1652554243/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead
  nth[n], np.asscalar(val), yesno[is_continuous]
/work/07753/dskarls/stampede2/jobs/dskarls/job-b394d92d-90cd-4e23-929d-0a3d83f32427-007-cfcffe9a-55eb-47d2-a429-3163fb6987ba/VC_303890932454_004-and-MO_815057898706_001-1652554243/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:677: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead
  e.append(np.asscalar(val))
/usr/local/lib/python3.8/dist-packages/ase/atoms.py:504: VisibleDeprecationWarning: Creating an ndarray from ragged nested sequences (which is a list-or-tuple of lists-or-tuples-or ndarrays with different lengths or shapes) is deprecated. If you meant to do this, you must specify 'dtype=object' when creating the ndarray.
  a = np.asarray(a)
/work/07753/dskarls/stampede2/jobs/dskarls/job-b394d92d-90cd-4e23-929d-0a3d83f32427-007-cfcffe9a-55eb-47d2-a429-3163fb6987ba/VC_303890932454_004-and-MO_815057898706_001-1652554243/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead
  nth[n], np.asscalar(val), yesno[is_continuous]
/work/07753/dskarls/stampede2/jobs/dskarls/job-b394d92d-90cd-4e23-929d-0a3d83f32427-007-cfcffe9a-55eb-47d2-a429-3163fb6987ba/VC_303890932454_004-and-MO_815057898706_001-1652554243/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead
  nth[n], np.asscalar(val), yesno[is_continuous]
/work/07753/dskarls/stampede2/jobs/dskarls/job-b394d92d-90cd-4e23-929d-0a3d83f32427-007-cfcffe9a-55eb-47d2-a429-3163fb6987ba/VC_303890932454_004-and-MO_815057898706_001-1652554243/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead
  nth[n], np.asscalar(val), yesno[is_continuous]
/work/07753/dskarls/stampede2/jobs/dskarls/job-b394d92d-90cd-4e23-929d-0a3d83f32427-007-cfcffe9a-55eb-47d2-a429-3163fb6987ba/VC_303890932454_004-and-MO_815057898706_001-1652554243/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:677: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead
  e.append(np.asscalar(val))
/usr/local/lib/python3.8/dist-packages/ase/atoms.py:504: VisibleDeprecationWarning: Creating an ndarray from ragged nested sequences (which is a list-or-tuple of lists-or-tuples-or ndarrays with different lengths or shapes) is deprecated. If you meant to do this, you must specify 'dtype=object' when creating the ndarray.
  a = np.asarray(a)
/work/07753/dskarls/stampede2/jobs/dskarls/job-b394d92d-90cd-4e23-929d-0a3d83f32427-007-cfcffe9a-55eb-47d2-a429-3163fb6987ba/VC_303890932454_004-and-MO_815057898706_001-1652554243/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead
  nth[n], np.asscalar(val), yesno[is_continuous]
/work/07753/dskarls/stampede2/jobs/dskarls/job-b394d92d-90cd-4e23-929d-0a3d83f32427-007-cfcffe9a-55eb-47d2-a429-3163fb6987ba/VC_303890932454_004-and-MO_815057898706_001-1652554243/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead
  nth[n], np.asscalar(val), yesno[is_continuous]
/work/07753/dskarls/stampede2/jobs/dskarls/job-b394d92d-90cd-4e23-929d-0a3d83f32427-007-cfcffe9a-55eb-47d2-a429-3163fb6987ba/VC_303890932454_004-and-MO_815057898706_001-1652554243/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead
  nth[n], np.asscalar(val), yesno[is_continuous]
/work/07753/dskarls/stampede2/jobs/dskarls/job-b394d92d-90cd-4e23-929d-0a3d83f32427-007-cfcffe9a-55eb-47d2-a429-3163fb6987ba/VC_303890932454_004-and-MO_815057898706_001-1652554243/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:677: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead
  e.append(np.asscalar(val))
/usr/local/lib/python3.8/dist-packages/ase/atoms.py:504: VisibleDeprecationWarning: Creating an ndarray from ragged nested sequences (which is a list-or-tuple of lists-or-tuples-or ndarrays with different lengths or shapes) is deprecated. If you meant to do this, you must specify 'dtype=object' when creating the ndarray.
  a = np.asarray(a)
/work/07753/dskarls/stampede2/jobs/dskarls/job-b394d92d-90cd-4e23-929d-0a3d83f32427-007-cfcffe9a-55eb-47d2-a429-3163fb6987ba/VC_303890932454_004-and-MO_815057898706_001-1652554243/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead
  nth[n], np.asscalar(val), yesno[is_continuous]
/work/07753/dskarls/stampede2/jobs/dskarls/job-b394d92d-90cd-4e23-929d-0a3d83f32427-007-cfcffe9a-55eb-47d2-a429-3163fb6987ba/VC_303890932454_004-and-MO_815057898706_001-1652554243/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead
  nth[n], np.asscalar(val), yesno[is_continuous]
/work/07753/dskarls/stampede2/jobs/dskarls/job-b394d92d-90cd-4e23-929d-0a3d83f32427-007-cfcffe9a-55eb-47d2-a429-3163fb6987ba/VC_303890932454_004-and-MO_815057898706_001-1652554243/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead
  nth[n], np.asscalar(val), yesno[is_continuous]
/work/07753/dskarls/stampede2/jobs/dskarls/job-b394d92d-90cd-4e23-929d-0a3d83f32427-007-cfcffe9a-55eb-47d2-a429-3163fb6987ba/VC_303890932454_004-and-MO_815057898706_001-1652554243/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:677: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead
  e.append(np.asscalar(val))
/usr/local/lib/python3.8/dist-packages/ase/atoms.py:504: VisibleDeprecationWarning: Creating an ndarray from ragged nested sequences (which is a list-or-tuple of lists-or-tuples-or ndarrays with different lengths or shapes) is deprecated. If you meant to do this, you must specify 'dtype=object' when creating the ndarray.
  a = np.asarray(a)
/work/07753/dskarls/stampede2/jobs/dskarls/job-b394d92d-90cd-4e23-929d-0a3d83f32427-007-cfcffe9a-55eb-47d2-a429-3163fb6987ba/VC_303890932454_004-and-MO_815057898706_001-1652554243/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead
  nth[n], np.asscalar(val), yesno[is_continuous]
/work/07753/dskarls/stampede2/jobs/dskarls/job-b394d92d-90cd-4e23-929d-0a3d83f32427-007-cfcffe9a-55eb-47d2-a429-3163fb6987ba/VC_303890932454_004-and-MO_815057898706_001-1652554243/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead
  nth[n], np.asscalar(val), yesno[is_continuous]
/work/07753/dskarls/stampede2/jobs/dskarls/job-b394d92d-90cd-4e23-929d-0a3d83f32427-007-cfcffe9a-55eb-47d2-a429-3163fb6987ba/VC_303890932454_004-and-MO_815057898706_001-1652554243/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead
  nth[n], np.asscalar(val), yesno[is_continuous]
/work/07753/dskarls/stampede2/jobs/dskarls/job-b394d92d-90cd-4e23-929d-0a3d83f32427-007-cfcffe9a-55eb-47d2-a429-3163fb6987ba/VC_303890932454_004-and-MO_815057898706_001-1652554243/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:677: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead
  e.append(np.asscalar(val))

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