Commit 06c2c0f3 authored by Ask Hjorth Larsen's avatar Ask Hjorth Larsen

singleconfig method/system section refs

parent 5b1c4bf1
......@@ -452,6 +452,11 @@ class SiestaContext(object):
forces = convert_unit(forces, 'eV/angstrom')
backend.addArrayValues('atom_forces_free_raw', forces)
backend.addValue('single_configuration_to_calculation_method_ref',
self.section_refs['method'])
backend.addValue('single_configuration_calculation_to_system_ref',
self.section_refs['system'])
def onClose_x_siesta_section_input(self, backend, gindex, section):
inputvars_file = self.files.get('inputlog')
if inputvars_file is None:
......
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