Commit c0d2d4ad authored by Hagen-Henrik Kowalski's avatar Hagen-Henrik Kowalski
Browse files

Added meta info sampling_method_expansion_order and changed superNames of

section_thermodynamical_properties to section_frame_sequence
parent 18025f16
...@@ -2318,6 +2318,14 @@ ...@@ -2318,6 +2318,14 @@
"superNames": [ "superNames": [
"section_sampling_method" "section_sampling_method"
] ]
}, {
"description": "Order upto which the potential energy surface was expanded to in a taylor expansion",
"dtypeStr": "i",
"name": "sampling_method_expansion_order",
"shape": [],
"superNames": [
"section_sampling_method"
]
}, { }, {
"description": "The matrix that tranforms the unitcell into the suprecell in which the actual calculation is performed", "description": "The matrix that tranforms the unitcell into the suprecell in which the actual calculation is performed",
"dtypeStr": "i", "dtypeStr": "i",
...@@ -2568,7 +2576,7 @@ ...@@ -2568,7 +2576,7 @@
"kindStr": "type_section", "kindStr": "type_section",
"name": "section_thermodynamical_properties", "name": "section_thermodynamical_properties",
"superNames": [ "superNames": [
"section_single_configuration_calculation" "section_frame_sequence"
] ]
}, { }, {
"description": "Section containing one of the exchange-correlation (XC) functionals that are combined to form the XC_functional used in the present section_method.", "description": "Section containing one of the exchange-correlation (XC) functionals that are combined to form the XC_functional used in the present section_method.",
......
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