Commit 740146a8 authored by Hagen-Henrik Kowalski's avatar Hagen-Henrik Kowalski
Browse files

Changed section calculation to calculation refs

parent 85ba3d5d
......@@ -23,6 +23,8 @@ def prep_ref(ref_listP, ref_listS, Emit, kindP, kindS):
for ref in ref_listP:
Emit.addValue("calculation_to_calculation_kind", kindP)
Emit.addValue("calculation_to_calculation_external_url", ref)
Emit.closeSection("section_calculation_to_calculation_refs", sCalc)
sCalc = Emit.openSection("section_calculation_to_calculation_refs")
for ref in ref_listS:
Emit.addValue("calculation_to_calculation_kind", kindS)
Emit.addValue("calculation_to_calculation_external_url", ref)
......@@ -75,7 +77,7 @@ if __name__ == '__main__':
if "Quasi-harmonic" in line:
spacegroup = int(line.split()[-1])
material = str(line.split()[-3])
name = args.mainFileUri
name = args.mainFilePath
refname = name.split("/Quasi-harmonic_properties.txt")[0]
#cwd_ref = os.getcwd(refname)
con_ref = os.listdir(mainDir)
......
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