Commit ba15c871 authored by Mohamed, Fawzi Roberto (fawzi)'s avatar Mohamed, Fawzi Roberto (fawzi)
Browse files

castep: set correct shape for energy_total_scf_iteration_list

parent 0aa90e35
......@@ -348,7 +348,7 @@
"description": "Total electronic energy calculated with XC_method_scf during the scf iterations is stored in a list",
"dtypeStr": "f",
"name": "energy_total_scf_iteration_list",
"shape": [],
"shape": [-1],
"superNames": [
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