/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) /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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] /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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] /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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] /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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] /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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) /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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] /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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] /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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] /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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) /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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] /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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] /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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] /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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) /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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] /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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] /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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] /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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) /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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] /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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] /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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] /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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) /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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] /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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] /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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] /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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) /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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] /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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] /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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] /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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) /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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] /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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] /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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] /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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) /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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] /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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] /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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] /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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) /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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] /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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] /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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] /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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) /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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] /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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] /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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] /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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) /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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] /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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] /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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] /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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) /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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] /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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] /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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] /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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) /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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] /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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] /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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] /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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) /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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] /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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] /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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] /work2/08773/bwaters/stampede2/bwaters/job-e9796689-4c45-42b3-a7e4-174b90a927a1-007-ea02a8cd-cde2-4b25-8011-23e2205e8e6a/VC_303890932454_004-and-MO_803527979660_000-1659562656/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)) {"realtime":1763.78,"usertime":1754.73,"systime":29.17,"memmax":321416,"memavg":0}