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Update quick_check.py
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quick_check.py

Lines changed: 1 addition & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -126,15 +126,14 @@ def plot_os_vs_bader(db):
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s=dict_of_df[os]['size'], alpha=0.5, c=dict_of_df[os]['color'],
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label = str(os) + ' oxidation state, '+ str(number_of_atoms) +' atoms ')
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if __name__ == '__main__':
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# specify your path where to save your data
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path = 'E:\\work\\Results_aflow\\GitHub\\'
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# and desierd anion and cations
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cation = 'Fe'
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anion = 'F'
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db = get_links(cation, anion)
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#better to save links
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db.to_csv(path+cation+anion+'links'+'.csv')

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