Commit cdc1675d authored by Ask Hjorth Larsen's avatar Ask Hjorth Larsen
Browse files

Merge branch 'siesta-extra-metadata' of...

Merge branch 'siesta-extra-metadata' of gitlab.mpcdf.mpg.de:nomad-lab/nomad-meta-info into siesta-extra-metadata
parents a95faea0 fae4d541
...@@ -54,5 +54,11 @@ ...@@ -54,5 +54,11 @@
"superNames": [ "section_system" ], "superNames": [ "section_system" ],
"dtypeStr": "f", "dtypeStr": "f",
"shape": [] "shape": []
}, {
"description": "grrr",
"name": "x_gulp_pbc",
"superNames": [ "section_system" ],
"dtypeStr": "i",
"shape": []
}] }]
} }
...@@ -30,18 +30,8 @@ ...@@ -30,18 +30,8 @@
"name": "x_siesta_xc_authors", "name": "x_siesta_xc_authors",
"shape": [], "shape": [],
"superNames": [ "superNames": [
"x_siesta_section_xc_authors" "x_siesta_section_input"
] ]
}, {
"description": "XC authors section",
"kindStr": "type_section",
"name": "x_siesta_section_xc_authors",
"superNames": [ "section_method" ]
}, {
"description": "input section",
"kindStr": "type_section",
"name": "x_siesta_section_input",
"superNames": [ "section_run" ]
}, { }, {
"description": "basis set type", "description": "basis set type",
"dtypeStr": "C", "dtypeStr": "C",
...@@ -50,5 +40,29 @@ ...@@ -50,5 +40,29 @@
"superNames": [ "superNames": [
"section_basis_set" "section_basis_set"
] ]
}, {
"description": "architecture",
"dtypeStr": "C",
"name": "x_siesta_arch",
"shape": [],
"superNames": [
"section_run"
]
}, {
"description": "type of run as categorized by Siesta (optimization/md etc.)",
"dtypeStr": "C",
"name": "x_siesta_typeofrun",
"shape": [],
"superNames": [
"x_siesta_section_input"
]
}, {
"description": "basis set type",
"dtypeStr": "C",
"name": "x_siesta_compilerflags",
"shape": [],
"superNames": [
"section_run"
]
}] }]
} }
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