Commit 1620d71b authored by Martina Stella's avatar Martina Stella
Browse files

code specific metainfo updated

parent 24dc6d57
......@@ -174,6 +174,15 @@
"superNames": [
"section_single_configuration_calculation"
]
}, {
"description": "Temporary storing stress tensor components",
"dtypeStr": "C",
"name": "castep_store_stress_tensor",
"shape": [],
"superNames": [
"castep_section_stress_tensor"
]
}, {
"description": "Temporary storing atomic positions",
"dtypeStr": "C",
......@@ -191,6 +200,22 @@
"section_system_description"
]
}, {
"description": "Temporary storing atom mass",
"dtypeStr": "C",
"name": "castep_store_atom_mass",
"shape": [],
"superNames": [
"section_topology"
]
}, {
"description": "Temporary storing atom name",
"dtypeStr": "C",
"name": "castep_store_atom_name",
"shape": [],
"superNames": [
"section_topology"
]
} ,{
"description": "Temporary storing eigenvalues",
"dtypeStr": "f",
"name": "castep_store_eigenvalues",
......@@ -341,6 +366,13 @@
"superNames": [
"section_system_description"
]
}, {
"description": "-",
"kindStr": "type_section",
"name": "castep_section_stress_tensor",
"superNames": [
"section_single_configuration_calculation"
]
}, {
"description": "-",
"kindStr": "type_section",
......
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