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Update Example2_Ti-H.ipynb
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Signed-off-by: Zishen Wang <[email protected]>
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zz11ss11zz authored Sep 18, 2024
1 parent c165730 commit 941ea87
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4 changes: 1 addition & 3 deletions notebooks/direct/Example2_Ti-H.ipynb
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Expand Up @@ -65,9 +65,7 @@
"\n",
"\n",
"def load_ase_MD_traj(filename: str):\n",
" \"\"\"\n",
" Load .traj to pymatgen structures\n",
" \"\"\"\n",
" \"\"\"Load .traj to pymatgen structures\"\"\"\n",
" traj = Trajectory(filename)\n",
" structures = [AseAtomsAdaptor.get_structure(tra) for tra in traj]\n",
" return structures"
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