Commit 99090f61 authored by Hagen-Henrik Kowalski's avatar Hagen-Henrik Kowalski
Browse files

fix

parent 811ce405
......@@ -32,6 +32,7 @@ def parse(name):
Parse.closeSection("section_calculation_to_folder_refs", fref)
sTD = Parse.openSection("section_thermodynamical_properties")
frameSeq = Parse.openSection("section_frame_sequence")
Parse.addArrayValues("frame_sequence_local_frames_ref", np.array([results]))
Parse.addArrayValues("thermodynamical_property_temperature", T)
Parse.addArrayValues("thermodynamical_property_heat_capacity_C_v", cV)
Parse.addArrayValues("x_qhp_quasi_harmonic_free_energy", Free)
......
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