Commit 9929d2fa authored by Mohamed, Fawzi Roberto (fawzi)'s avatar Mohamed, Fawzi Roberto (fawzi)
Browse files

fixing and normalizing octopus metainfo

parent cd67cf39
{
"type": "nomad_meta_info_1_0",
"description": "meta info used by the octopus parser, all names are expected to start with octopus_",
"dependencies": [ {
"relativePath": "common.nomadmetainfo.json"
"type": "nomad_meta_info_1_0",
"description": "meta info used by the octopus parser, all names are expected to start with octopus_",
"dependencies": [ {
"relativePath": "common.nomadmetainfo.json"
}, {
"relativePath": "meta_types.nomadmetainfo.json"
"relativePath": "meta_types.nomadmetainfo.json"
}, {
"relativePath": "octopus.autogenerated.nomadmetainfo.json"
"relativePath": "octopus.autogenerated.nomadmetainfo.json"
}],
"metaInfos": [ {
"description": "section describing Octopus input parameters",
"kindStr": "type_abstract_document_content",
"name": "x_octopus_input",
"superNames": [ "section_run" ]
}, {
"description": "section describing Octopus inputfile parser log output",
"kindStr": "type_abstract_document_content",
"name": "x_octopus_parserlog",
"repeats": false,
"shape": [],
"superNames": [ "section_run" ]
}, {
"description": "ion-ion interaction energy",
"dtypeStr": "f",
"name": "x_octopus_info_energy_ion_ion",
"repeats": false,
"shape": [],
"superNames": [ "section_single_configuration_calculation" ]
}, {
"description": "octopus svn revision",
"superNames": [
"section_single_configuration_calculation"
]
}, {
"description": "number of scf iterations to converge calculation",
"dtypeStr": "i",
"name": "x_octopus_log_svn_revision",
"name": "x_octopus_info_scf_converged_iterations",
"repeats": false,
"shape": [],
"superNames": [ "section_run" ]
}, {
"description": "number of scf iterations to converge calculation",
"superNames": [
"section_run"
]
}, {
"description": "octopus svn revision",
"dtypeStr": "i",
"name": "x_octopus_info_scf_converged_iterations",
"name": "x_octopus_log_svn_revision",
"repeats": false,
"shape": [],
"superNames": [ "section_run" ]
} ]
"superNames": [
"section_run"
]
}]
}
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