Planned maintenance on Wednesday, 2021-01-20, 17:00-18:00. Expect some interruptions during that time

meta info for system type classification

parent 8ec558a1
...@@ -4166,6 +4166,25 @@ ...@@ -4166,6 +4166,25 @@
"superNames": [ "superNames": [
"section_system_to_system_refs" "section_system_to_system_refs"
] ]
}, {
"derived": true,
"description": "Type of the system ",
"dtypeStr": "C",
"name": "system_type",
"shape": [],
"repeats": false,
"superNames": [
"section_system"
],
"values": {
"Atom": "A single atom",
"Molecule / Cluster": "A system with no periodic dimensions",
"1D": "systems with one periodic dimension",
"Polymer": "systems with one periodic dimension and a minimum thickness along the other axes",
"2D": "systems with two periodic dimensions",
"Surface": "systems with two periodic dimensions and a minimum thickness along the third axis",
"Bulk": "systems with three periodic dimensions"
}
}, { }, {
"description": "Method used to calculate the thermodynamic quantities.\n\nValid values:\n\n * harmonic", "description": "Method used to calculate the thermodynamic quantities.\n\nValid values:\n\n * harmonic",
"dtypeStr": "C", "dtypeStr": "C",
......
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