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fix line length
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-14
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1 file changed

+28
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tutorials/qha_workflow.ipynb

+28-14
Original file line numberDiff line numberDiff line change
@@ -28,20 +28,34 @@
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"ref_paths = {\n",
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" \"phonon static 1/1\": \"Si_qha_2/phonon_static_1_1\",\n",
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" \"static\": \"Si_qha_2/static\",\n",
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" \"tight relax 1 EOS equilibrium relaxation\": \"Si_qha_2/tight_relax_1\",\n",
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" \"tight relax 2 EOS equilibrium relaxation\": \"Si_qha_2/tight_relax_2\",\n",
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" \"tight relax 1 deformation 0\": \"Si_qha_2/tight_relax_1_d0\",\n",
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" \"tight relax 1 deformation 1\": \"Si_qha_2/tight_relax_1_d1\",\n",
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" \"tight relax 1 deformation 2\": \"Si_qha_2/tight_relax_1_d2\",\n",
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" \"tight relax 1 deformation 3\": \"Si_qha_2/tight_relax_1_d3\",\n",
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" \"tight relax 1 deformation 4\": \"Si_qha_2/tight_relax_1_d4\",\n",
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" \"tight relax 1 deformation 5\": \"Si_qha_2/tight_relax_1_d5\",\n",
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" \"tight relax 2 deformation 0\": \"Si_qha_2/tight_relax_2_d0\",\n",
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" \"tight relax 2 deformation 1\": \"Si_qha_2/tight_relax_2_d1\",\n",
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" \"tight relax 2 deformation 2\": \"Si_qha_2/tight_relax_2_d2\",\n",
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" \"tight relax 2 deformation 3\": \"Si_qha_2/tight_relax_2_d3\",\n",
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" \"tight relax 2 deformation 4\": \"Si_qha_2/tight_relax_2_d4\",\n",
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" \"tight relax 2 deformation 5\": \"Si_qha_2/tight_relax_2_d5\",\n",
31+
" \"tight relax 1 EOS equilibrium relaxation\":\n",
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" \"Si_qha_2/tight_relax_1\",\n",
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" \"tight relax 2 EOS equilibrium relaxation\":\n",
34+
" \"Si_qha_2/tight_relax_2\",\n",
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" \"tight relax 1 deformation 0\":\n",
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" \"Si_qha_2/tight_relax_1_d0\",\n",
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" \"tight relax 1 deformation 1\":\n",
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" \"Si_qha_2/tight_relax_1_d1\",\n",
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" \"tight relax 1 deformation 2\":\n",
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" \"Si_qha_2/tight_relax_1_d2\",\n",
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" \"tight relax 1 deformation 3\":\n",
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" \"Si_qha_2/tight_relax_1_d3\",\n",
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" \"tight relax 1 deformation 4\":\n",
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" \"Si_qha_2/tight_relax_1_d4\",\n",
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" \"tight relax 1 deformation 5\":\n",
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" \"Si_qha_2/tight_relax_1_d5\",\n",
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" \"tight relax 2 deformation 0\":\n",
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" \"Si_qha_2/tight_relax_2_d0\",\n",
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" \"tight relax 2 deformation 1\":\n",
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" \"Si_qha_2/tight_relax_2_d1\",\n",
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" \"tight relax 2 deformation 2\":\n",
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" \"Si_qha_2/tight_relax_2_d2\",\n",
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" \"tight relax 2 deformation 3\":\n",
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" \"Si_qha_2/tight_relax_2_d3\",\n",
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" \"tight relax 2 deformation 4\":\n",
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" \"Si_qha_2/tight_relax_2_d4\",\n",
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" \"tight relax 2 deformation 5\":\n",
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" \"Si_qha_2/tight_relax_2_d5\",\n",
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" \"dft phonon static eos deformation 1\": \"Si_qha_2/dft_phonon_static_eos_deformation_1\",\n",
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" \"dft phonon static eos deformation 2\": \"Si_qha_2/dft_phonon_static_eos_deformation_2\",\n",
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" \"dft phonon static eos deformation 3\": \"Si_qha_2/dft_phonon_static_eos_deformation_3\",\n",

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