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fixup! Update jupyter notebooks.
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ajocher committed Nov 19, 2019
1 parent bb0f092 commit ca156a7
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Showing 2 changed files with 14 additions and 11 deletions.
17 changes: 11 additions & 6 deletions scripts/fitPolycyclicThermoGroupsFromThermoLibrary.ipynb
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Expand Up @@ -31,17 +31,13 @@
"metadata": {},
"outputs": [],
"source": [
"import os\n",
"import re\n",
"import copy\n",
"import numpy\n",
"from IPython.display import Image, display\n",
"from IPython.display import display\n",
"from rmgpy.data.thermo import *\n",
"from rmgpy.data.base import Entry\n",
"from rmgpy.data.rmg import RMGDatabase\n",
"from rmgpy import settings\n",
"from rmgpy.species import Species\n",
"from rmgpy.molecule import Molecule\n",
"from arkane.output import prettify"
]
},
Expand Down Expand Up @@ -402,8 +398,17 @@
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.7.4"
},
"pycharm": {
"stem_cell": {
"cell_type": "raw",
"source": [],
"metadata": {
"collapsed": false
}
}
}
},
"nbformat": 4,
"nbformat_minor": 1
}
}
8 changes: 3 additions & 5 deletions scripts/generateFilterArrheniusFits.ipynb
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Expand Up @@ -23,8 +23,6 @@
"metadata": {},
"outputs": [],
"source": [
"from __future__ import division, print_function\n",
"\n",
"import os\n",
"import operator\n",
"\n",
Expand Down Expand Up @@ -302,13 +300,13 @@
"pycharm": {
"stem_cell": {
"cell_type": "raw",
"source": [],
"metadata": {
"collapsed": false
},
"source": []
}
}
}
},
"nbformat": 4,
"nbformat_minor": 2
}
}

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