diff --git a/parser/parser-elk/parser_elk.py b/parser/parser-elk/parser_elk.py index 926911238444850d94f03c52ffc0383589416ad9..4b6c5c8ddedc292e72373b6530fd6bc89344db02 100644 --- a/parser/parser-elk/parser_elk.py +++ b/parser/parser-elk/parser_elk.py @@ -70,15 +70,12 @@ class ElkContext(object): eigvalVal=[[],[]] eigvalOcc=[] fromH = unit_conversion.convert_unit_function("hartree", "J") - i = 0 while 1: - i += 1 - print ("i= ", i) s = g.readline() if not s: break s = s.strip() # print ("s= ", s) - print ("len(s)= ", len(s)) +# print ("len(s)= ", len(s)) if len(s) < 20: continue elif len(s) > 50: @@ -94,8 +91,9 @@ class ElkContext(object): n, e, occ = s.split() eigvalVal[0][-1].append(int(n)) eigvalVal[1][-1].append(float(e)) - print ("eigvalVal= ", eigvalVal) +# print ("eigvalVal= ", eigvalVal) backend.addArrayValues("eigenvalues_kpoints", np.asarray(eigvalKpoint)) + backend.addArrayValues("eigenvalues_values", np.asarray(eigvalVal)) def onClose_section_system(self, backend, gIndex, section): backend.addArrayValues('configuration_periodic_dimensions', np.asarray([True, True, True]))