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version 10-06-2024 #4

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version 10-06-2024 #4

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IvanGilardoni Jun 5, 2024
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IvanGilardoni Jun 6, 2024
a9b3934
Update Functions.py
IvanGilardoni Jun 6, 2024
7d7c972
Update Functions.py
IvanGilardoni Jun 6, 2024
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IvanGilardoni Jun 7, 2024
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Update __init__.py
IvanGilardoni Jun 7, 2024
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modified .gitignore
Jun 10, 2024
9283030
modified Functions.py
IvanGilardoni Jun 10, 2024
be73f8e
modified Functions.py
IvanGilardoni Jun 10, 2024
d6b6e72
modified Functions.py
IvanGilardoni Jun 10, 2024
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IvanGilardoni Jun 10, 2024
1114d0a
ID columns in savetxt
IvanGilardoni Jun 10, 2024
f7b7957
Merge branch 'master' into master
IvanGilardoni Jun 10, 2024
c35d678
Update Functions.py
IvanGilardoni Jun 11, 2024
d510fb1
improved setup so that it does not import MDRefine
IvanGilardoni Jun 11, 2024
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4 changes: 2 additions & 2 deletions Examples/Tutorial.ipynb
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Original file line number Diff line number Diff line change
Expand Up @@ -62,7 +62,7 @@
"metadata": {},
"outputs": [],
"source": [
"from Functions import load_data, minimizer, select_traintest, hyper_minimizer, MDRefinement"
"from MDRefine import load_data, minimizer, select_traintest, hyper_minimizer, MDRefinement"
]
},
{
Expand Down Expand Up @@ -1101,7 +1101,7 @@
],
"source": [
"x = mini['intermediate'].log10_hyperpars\n",
"y = mini['intermediate'].tot_chi2\n",
"y = mini['intermediate'].av_chi2\n",
"\n",
"plt.plot(x,y,'.--')\n",
"plt.xlabel(r'$\\log_{10}\\alpha$')\n",
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2 changes: 1 addition & 1 deletion Examples/load_data.ipynb
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Expand Up @@ -842,7 +842,7 @@
"source": [
"%%bash\n",
"\n",
"mv github_DATA/alchemical/temperature.txt DATA_alchemical/temperature.txt"
"mv github_DATA/alchemical/temperature DATA_alchemical/temperature.txt"
]
},
{
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