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