Commits (1)
......@@ -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)
......
......@@ -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)
\ No newline at end of file
# print(parser.parser_context.super_backend)