Commit be7e84ef authored by Martina Stella's avatar Martina Stella
Browse files

updating metainfo

parent 1ff10137
......@@ -105,13 +105,38 @@
"superNames": [
"castep_section_functionals"
]
}, {
"description": "XC functional definition in CASTEP convention",
"dtypeStr": "C",
"name": "castep_functional_type",
"shape": [],
"superNames": [
"castep_section_functional_definition"
]
}, {
"description": "XC functional weight in CASTEP convention",
"dtypeStr": "C",
"name": "castep_functional_weight",
"shape": [],
"superNames": [
"castep_section_functional_definition"
]
}, {
"description": "XC functional+weight in CASTEP convention",
"dtypeStr": "C",
"name": "castep_functional_and_weight",
"shape": [],
"superNames": [
"section_method"
]
}, {
"description": "Relativity treatment in CASTEP convention",
"dtypeStr": "C",
"name": "castep_relativity_treatment_scf",
"shape": [],
"superNames": [
"castep_section_functionals"
"castep_section_relativity_treatment"
]
}, {
"description": "Storing atomic positions in fractional coordinates",
......@@ -431,5 +456,19 @@
"superNames": [
"section_method"
]
}, {
"description": "-",
"kindStr": "type_section",
"name": "castep_section_functional_definition",
"superNames": [
"section_method"
]
}, {
"description": "-",
"kindStr": "type_section",
"name": "castep_section_relativity_treatment",
"superNames": [
"section_method"
]
}]
}
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