Fix parsing of smearing_kind

wien2kparser/parser_wien2k.py

@@ -196,18 +196,6 @@ class Wien2kContext(object):
 
     def onClose_section_system(self, backend, gIndex, section):
 
-        #backend.addValue("smearing_kind", x_fleur_smearing_kind)
-        smearing_kind = section['x_wien2k_smearing_kind']
-        if smearing_kind is not None:
-        #    value = ''
-            backend.addValue('x_wien2k_smearing_kind', value)
-
-
-        smearing_width = section['x_wien2k_smearing_width']
-        if smearing_width is not None:
-        #    value = ''
-            backend.addValue('x_wien2k_smearing_width', value)
-
         #   atom labels
         atom_labels = section['x_wien2k_atom_name']
         if atom_labels is not None:

wien2kparser/wien2k_parser_in2.py

@@ -45,6 +45,15 @@ class Wien2kIn2Context(object):
         # allows to reset values if the same superContext is used to parse different files
         self.initialize_values()
 
+    def onClose_section_method(self, backend, gIndex, section):
+        smearing_kind = section['x_wien2k_smearing_kind'][0]
+        if smearing_kind is not None:
+            if 'TETRA' in smearing_kind:
+                backend.addValue('smearing_kind', 'tetrahedra')
+            elif 'TEMP' in smearing_kind:
+                backend.addValue('smearing_kind', 'fermi')
+            elif 'GAUSS' in smearing_kind:
+                backend.addValue('smearing_kind', 'gaussian')
 
 # description of the input
 def buildIn2Matchers():