siesta.nomadmetainfo.json 1.82 KB
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{
  "type": "nomad_meta_info_1_0",
  "description": "meta info used by the siesta parser.  All names are expected to start with x_siesta_",
  "dependencies": [ {
      "relativePath": "common.nomadmetainfo.json"
    }, {
      "relativePath": "meta_types.nomadmetainfo.json"
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    }, {
      "relativePath": "siesta.autogenerated.nomadmetainfo.json"
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    }],
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  "metaInfos": [ {
      "description": "system label specified in siesta calculation.  This determines many of the filenames.",
      "dtypeStr": "C",
      "name": "x_siesta_system_label",
      "shape": [],
      "superNames": [
          "section_run"
      ]
  }, {
      "description": "system name specified in siesta calculation.  This is purely a description.",
      "dtypeStr": "C",
      "name": "x_siesta_system_name",
      "shape": [],
      "superNames": [
          "section_run"
      ]
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  }, {
      "description": "XC authors (really: XC functional) in siesta calculation.",
      "dtypeStr": "C",
      "name": "x_siesta_xc_authors",
      "shape": [],
      "superNames": [
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          "x_siesta_section_input"
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      ]
  }, {
      "description": "basis set type",
      "dtypeStr": "C",
      "name": "x_siesta_pao_basis_type",
      "shape": [],
      "superNames": [
	  "section_basis_set"
      ]
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  }, {
      "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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  }]
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}