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Commit 329b3295 authored by Aakash Ashok Naik's avatar Aakash Ashok Naik :eyes:
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Update periodictable.py

parent 4d2b7f15
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1 merge request!5Periodic table rescaled
......@@ -1148,13 +1148,13 @@ def t(df3,df4):
def heatmap(Spin = '', method = ''):
if Spin.lower() == 'false' and method.lower() == 'hse06':
clean();
df4 = pd.read_csv('./query_nomad_archive/csv/no_spin_hse06_really_tight.csv')
df4 = pd.read_csv('./data/csv/no_spin_hse06_really_tight.csv')
f(df3,df4)
featuref()
showfigf()
elif Spin.lower() == 'false' and method.lower() =='pbe':
clean();
df4 = pd.read_csv('./query_nomad_archive/csv/no_spin_pbe_really_tight.csv')
df4 = pd.read_csv('./data/csv/no_spin_pbe_really_tight.csv')
f(df3,df4)
featuref()
showfigf()
......@@ -1166,31 +1166,31 @@ def heatmap(Spin = '', method = ''):
showfigf()
elif Spin.lower() == 'false' and method.lower() =='pbesol':
clean();
df4 = pd.read_csv('./query_nomad_archive/csv/no_spin_pbesol_really_tight.csv')
df4 = pd.read_csv('./data/csv/no_spin_pbesol_really_tight.csv')
f(df3,df4)
featuref()
showfigf()
elif Spin.lower() == 'false' and method.lower() =='pw-lda':
clean();
df4 = pd.read_csv('./query_nomad_archive/csv/no_spin_pw-lda_really_tight.csv')
df4 = pd.read_csv('./data/csv/no_spin_pw-lda_really_tight.csv')
f(df3,df4)
featuref()
showfigf()
elif Spin.lower() == 'false' and method.lower() =='revpbe':
clean();
df4 = pd.read_csv('./query_nomad_archive/csv/no_spin_revpbe_really_tight.csv')
df4 = pd.read_csv('./data/csv/no_spin_revpbe_really_tight.csv')
f(df3,df4)
featuref()
showfigf()
elif Spin.lower() == 'true' and method.lower() =='hse06':
clean();
df4 = pd.read_csv('./query_nomad_archive/csv/spin_hse06_really_tight.csv')
df4 = pd.read_csv('./data/csv/spin_hse06_really_tight.csv')
t(df3,df4)
featuret()
showfigt()
elif Spin.lower() == 'true' and method.lower() =='pbe':
clean();
df4 = pd.read_csv('./query_nomad_archive/csv/spin_pbe_really_tight.csv')
df4 = pd.read_csv('./data/csv/spin_pbe_really_tight.csv')
t(df3,df4)
featuret()
showfigt()
......@@ -1202,19 +1202,19 @@ def heatmap(Spin = '', method = ''):
showfigt()
elif Spin.lower() == 'true' and method.lower() =='pbesol':
clean();
df4 = pd.read_csv('./query_nomad_archive/csv/spin_pbesol_really_tight.csv')
df4 = pd.read_csv('./data/csv/spin_pbesol_really_tight.csv')
t(df3,df4)
featuret()
showfigt()
elif Spin.lower() == 'true' and method.lower() =='pw-lda':
clean();
df4 = pd.read_csv('./query_nomad_archive/csv/spin_pw-lda_really_tight.csv')
df4 = pd.read_csv('./data/csv/spin_pw-lda_really_tight.csv')
t(df3,df4)
featuret()
showfigt()
elif Spin.lower() == 'true' and method.lower() =='revpbe':
clean();
df4 = pd.read_csv('./query_nomad_archive/csv/spin_revpbe_really_tight.csv')
df4 = pd.read_csv('./data/csv/spin_revpbe_really_tight.csv')
t(df3,df4)
featuret()
showfigt()
......
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