Update atomic_properties_dft.py

query_nomad_archive/atomic_properties_dft.py

@@ -120,51 +120,51 @@ def t(df1,objs):
 
 def method(Spin = '', method = ''):
     if Spin.lower() == 'false' and method.lower() == 'hse06':
-        df1 = pd.read_csv('./query_nomad_archive/csv/no_spin_hse06_really_tight.csv')
+        df1 = pd.read_csv('./data/csv/no_spin_hse06_really_tight.csv')
         objs = []
         f(df1,objs)
     elif Spin.lower() == 'false' and method.lower() =='pbe':
-        df1 = pd.read_csv('./query_nomad_archive/csv/no_spin_pbe_really_tight.csv')
+        df1 = pd.read_csv('./data/csv/no_spin_pbe_really_tight.csv')
         objs = []
         f(df1,objs)
     elif Spin.lower() == 'false' and method.lower() =='pbe0':
-        df1 = pd.read_csv('./query_nomad_archive/csv/no_spin_pbe0_really_tight.csv')
+        df1 = pd.read_csv('./data/csv/no_spin_pbe0_really_tight.csv')
         objs = []
         f(df1,objs)
     elif Spin.lower() == 'false' and method.lower() =='pbesol':
-        df1 = pd.read_csv('./query_nomad_archive/csv/no_spin_pbesol_really_tight.csv')
+        df1 = pd.read_csv('./data/csv/no_spin_pbesol_really_tight.csv')
         objs = []
         f(df1,objs)
     elif Spin.lower() == 'false' and method.lower() =='pw-lda':
-        df1 = pd.read_csv('./query_nomad_archive/csv/no_spin_pw-lda_really_tight.csv')
+        df1 = pd.read_csv('./data/csv/no_spin_pw-lda_really_tight.csv')
         objs = []
         f(df1,objs)
     elif Spin.lower() == 'false' and method.lower() =='revpbe':
-        df1 = pd.read_csv('./query_nomad_archive/csv/no_spin_revpbe_really_tight.csv')
+        df1 = pd.read_csv('./data/csv/no_spin_revpbe_really_tight.csv')
         objs = []
         f(df1,objs)
     elif Spin.lower() == 'true' and method.lower() =='hse06':
-        df1 = pd.read_csv('./query_nomad_archive/csv/spin_hse06_really_tight.csv')
+        df1 = pd.read_csv('./data/csv/spin_hse06_really_tight.csv')
         objs = []
         t(df1,objs)
     elif Spin.lower() == 'true' and method.lower() =='pbe':
-        df1 = pd.read_csv('./query_nomad_archive/csv/spin_pbe_really_tight.csv')
+        df1 = pd.read_csv('./data/csv/spin_pbe_really_tight.csv')
         objs = []
         t(df1,objs)
     elif Spin.lower() == 'true' and method.lower() =='pbe0':
-        df1 = pd.read_csv('./query_nomad_archive/csv/spin_pbe0_really_tight.csv')
+        df1 = pd.read_csv('./data/csv/spin_pbe0_really_tight.csv')
         objs = []
         t(df1,objs)
     elif Spin.lower() == 'true' and method.lower() =='pbesol':
-        df1 = pd.read_csv('./query_nomad_archive/csv/spin_pbesol_really_tight.csv')
+        df1 = pd.read_csv('./data/csv/spin_pbesol_really_tight.csv')
         objs = []
         t(df1,objs)
     elif Spin.lower() == 'true' and method.lower() =='pw-lda':
-        df1 = pd.read_csv('./query_nomad_archive/csv/spin_pw-lda_really_tight.csv')
+        df1 = pd.read_csv('./data/csv/spin_pw-lda_really_tight.csv')
         objs = []
         t(df1,objs)
     elif Spin.lower() == 'true' and method.lower() =='revpbe':
-        df1 = pd.read_csv('./query_nomad_archive/csv/spin_revpbe_really_tight.csv')
+        df1 = pd.read_csv('./data/csv/spin_revpbe_really_tight.csv')
         objs = []
         t(df1,objs)
     else: