Commit 67103a56 authored by Mohamed, Fawzi Roberto (fawzi)'s avatar Mohamed, Fawzi Roberto (fawzi)
Browse files

avoid double opening of section, reusing section_calculation_to_calculation_refs

parent 79a47b4f
......@@ -26,11 +26,10 @@ def parse(name):
Parse.addValue("x_qhp_formula", material)
Parse.closeSection("section_system", system)
results = Parse.openSection("section_single_configuration_calculation")
fref = Parse.openSection("section_calculation_to_folder_refs")
Parse.addValue("calculation_to_folder_kind", "folder_containing_calculations")
Parse.addValue("calculation_to_folder_external_url", refname)
Parse.closeSection("section_calculation_to_folder_refs", fref)
sTD = Parse.openSection("section_thermodynamical_properties")
fref = Parse.openSection("section_calculation_to_calculation_refs")
Parse.addValue("calculation_to_calculation_kind", "source_folder")
Parse.addValue("calculation_to_calculation_external_url", refname)
Parse.closeSection("section_calculation_to_calculation_refs", fref)
frameSeq = Parse.openSection("section_frame_sequence")
Parse.addArrayValues("frame_sequence_local_frames_ref", np.array([results]))
sTD = Parse.openSection("section_thermodynamical_properties")
......
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