nomad-FAIR#282. basis-set rename

bandparser/parser_band-singlepoint.py

@@ -209,7 +209,7 @@ class MainParser(MainHierarchicalParser):
 
     def onClose_section_run(self, backend, *args, **kwargs):
         backend.addValue('program_name', 'BAND')
-        backend.addValue('program_basis_set_type', 'slater')
+        backend.addValue('program_basis_set_type', 'numeric AOs')
 
 if __name__ == "__main__":
     parser = BANDParser(backend=LocalBackend)

bandparser/parser_band.py

@@ -246,7 +246,7 @@ class MainParser(MainHierarchicalParser):
 
     def onClose_section_run(self, backend, *args, **kwargs):
         backend.addValue('program_name', 'BAND')
-        backend.addValue('program_basis_set_type', 'Slater')
+        backend.addValue('program_basis_set_type', 'numeric AOs')
 
     def onClose_section_single_configuration_calculation(self, backend, *args, **kwargs):
         backend.addValue('single_configuration_calculation_to_system_ref', self.system_index)
@@ -258,4 +258,4 @@ if __name__ == "__main__":
     parser = BANDParser(backend=LocalBackend)
     parser.parse(sys.argv[1])
     parser.parser_context.super_backend.write_json(sys.stdout)
-    # print(parser.parser_context.super_backend)
+    # print(parser.parser_context.super_backend)
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