"description":"Common meta info, not specific to any code",
"dependencies":[{
"relativePath":"public.nomadmetainfo.json"
},
{
"relativePath":"repository.nomadmetainfo.json"
}],
"metaInfos":[{
"description":"Charge of each atom in the molecule.",
...
...
@@ -75,48 +78,6 @@
"superNames":[
"section_atom_type"
]
},{
"description":"First name of a author of NOMAD repository data (includes middle names)",
"dtypeStr":"C",
"name":"author_first_name",
"superNames":[
"section_author_info"
]
},{
"description":"Last name of a author to NOMAD repository data",
"dtypeStr":"C",
"name":"author_last_name",
"superNames":[
"section_author_info"
]
},{
"description":"Name (fista and last name) of an author of NOMAD repository data",
"dtypeStr":"C",
"name":"author_name",
"superNames":[
"section_author_info"
]
},{
"description":"Identifier of the author used in the repository",
"dtypeStr":"i",
"name":"author_repository_id",
"superNames":[
"section_author_info"
]
},{
"description":"The type of citation (internal or external)",
"dtypeStr":"C",
"name":"citation_type",
"superNames":[
"section_citation"
]
},{
"description":"String defining the citation",
"dtypeStr":"C",
"name":"citation_value",
"superNames":[
"section_citation"
]
},{
"description":"List of the indexes involved in this constraint. The fist atom has index 1, the last number_of_topology_atoms.",
"dtypeStr":"i",
...
...
@@ -144,34 +105,6 @@
"superNames":[
"section_constraint"
]
},{
"description":"Checksum idendifying the dataset in the repository",
"dtypeStr":"C",
"name":"dataset_checksum",
"superNames":[
"section_repository_dataset"
]
},{
"description":"Name of NOMAD repository dataset",
"dtypeStr":"C",
"name":"dataset_name",
"superNames":[
"section_repository_dataset"
]
},{
"description":"Unique identifier of the parent NOMAD repository dataset",
"dtypeStr":"C",
"name":"dataset_parent_pid",
"superNames":[
"section_repository_dataset"
]
},{
"description":"Unique identifier of a NOMAD repository dataset",
"dtypeStr":"C",
"name":"dataset_pid",
"superNames":[
"section_repository_dataset"
]
},{
"description":"Type of DFT+U functional (such as DFT/DFT+U double-counting compensation). Valid names are described in the [dft\\_plus\\_u\\_functional wiki page](https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-meta-info/wikis/metainfo/dft-plus-u-functional).",
"dtypeStr":"C",
...
...
@@ -675,142 +608,6 @@
"superNames":[
"section_raw_data"
]
},{
"description":"kind of access this data has currently",
"dtypeStr":"C",
"name":"repository_access_now",
"superNames":[
"section_repository_info"
]
},{
"description":"Gid of a raw data archives that contains this calculation",
"dtypeStr":"C",
"name":"repository_archive_gid",
"repeats":true,
"superNames":[
"section_repository_info"
]
},{
"description":"Atomic elements used in this calculation",
"dtypeStr":"C",
"name":"repository_atomic_elements",
"repeats":true,
"superNames":[
"section_repository_info"
]
},{
"description":"String identifying the type of basis set used in this calculation",
"dtypeStr":"C",
"name":"repository_basis_set_type",
"superNames":[
"section_repository_info"
]
},{
"description":"calc_id, an internal identifier in the database of a file/calculation in NOMAD repository",
"dtypeStr":"i64",
"name":"repository_calc_id",
"superNames":[
"section_repository_info"
]
},{
"description":"checksum of the calculation",
"dtypeStr":"C",
"name":"repository_checksum",
"superNames":[
"section_repository_info"
]
},{
"description":"Chemical formula (composition) calculation",
"dtypeStr":"C",
"name":"repository_chemical_formula",
"superNames":[
"section_repository_info"
]
},{
"description":"String identifying the crystal system of this calculation",
"dtypeStr":"C",
"name":"repository_crystal_system",
"superNames":[
"section_repository_info"
]
},{
"description":"Checksum of the fields used in the NOMAD repository search result table: repository_chemical_formula, repository_spacegroup_nr, repository_basis_set_type, repository_xc_treatment, repository_code_version, repository_access_now, citation_repo_id, repository_comment, author_repository_id. Checksum is Base64 (url safe) encoding of the first 168 bit of SHA-512 prefixed with 'g'",
"dtypeStr":"C",
"name":"repository_grouping_checksum",
"superNames":[
"section_repository_info"
]
},{
"description":"Db identifier for a file/calculation in NOMAD repository",
"dtypeStr":"i64",
"name":"repository_id",
"superNames":[
"section_repository_info"
]
},{
"description":"A nomad uri to normalized calculation corresponding to this calculation",
"dtypeStr":"C",
"name":"repository_nomad_uri",
"repeats":true,
"superNames":[
"section_repository_info"
]
},{
"description":"Date this calculation did become, or will become open access",
"dtypeStr":"C",
"name":"repository_open_date",
"superNames":[
"section_repository_info"
]
},{
"description":"String identifying the parser used to parse the information for the repository",
"dtypeStr":"C",
"name":"repository_parser_id",
"superNames":[
"section_repository_info"
]
},{
"description":"Permanent identifier of a file/calculation in NOMAD repository",
"dtypeStr":"C",
"name":"repository_pid",
"superNames":[
"section_repository_info"
]
},{
"description":"String identifying the program used to generate this calculation",
"dtypeStr":"C",
"name":"repository_program_name",
"superNames":[
"section_repository_info"
]
},{
"description":"space group of the geometry of this calculation",
"dtypeStr":"i",
"name":"repository_spacegroup_nr",
"superNames":[
"section_repository_info"
]
},{
"description":"String identifying the type of system of this calculation",
"dtypeStr":"C",
"name":"repository_system_type",
"superNames":[
"section_repository_info"
]
},{
"description":"URI referring to the parsed file in the original upload to repository (equivalent of mainFileUri before repackaging)",
"dtypeStr":"C",
"name":"repository_uri",
"superNames":[
"section_repository_info"
]
},{
"description":"String identifying the xc treatment used in this calculation",
"dtypeStr":"C",
"name":"repository_xc_treatment",
"superNames":[
"section_repository_info"
]
},{
"description":"The top level context containing the reponse to an api query, when using jsonAPI they are tipically in the meta part",
"kindStr":"type_section",
...
...
@@ -844,20 +641,6 @@
"superNames":[
"section_topology"
]
},{
"description":"Information about the authors of data uploaded to NOMAD repository",
"kindStr":"type_section",
"name":"section_author_info",
"superNames":[
"section_repository_info"
]
},{
"description":"Section describing a citation",
"kindStr":"type_section",
"name":"section_citation",
"superNames":[
"section_repository_info"
]
},{
"description":"Section describing a constraint between arbitrary atoms.",
"kindStr":"type_section",
...
...
@@ -918,25 +701,6 @@
"superNames":[
"section_topology"
]
},{
"description":"Information on a raw data archive that contain open access data of this upload",
"description":"Meta Info that is used in the Nomad Repository",
"dependencies":[{
"relativePath":"public.nomadmetainfo.json"
}],
"metaInfos":[{
"description":"First name of a author of NOMAD repository data (includes middle names)",
"dtypeStr":"C",
"name":"author_first_name",
"superNames":[
"section_author_info"
]
},{
"description":"Last name of a author to NOMAD repository data",
"dtypeStr":"C",
"name":"author_last_name",
"superNames":[
"section_author_info"
]
},{
"description":"Name (fista and last name) of an author of NOMAD repository data",
"dtypeStr":"C",
"name":"author_name",
"superNames":[
"section_author_info"
]
},{
"description":"Identifier of the author used in the repository",
"dtypeStr":"i",
"name":"author_repository_id",
"superNames":[
"section_author_info"
]
},{
"description":"The type of citation (internal or external)",
"dtypeStr":"C",
"name":"citation_type",
"superNames":[
"section_citation"
]
},{
"description":"String defining the citation",
"dtypeStr":"C",
"name":"citation_value",
"superNames":[
"section_citation"
]
},{
"description":"Checksum idendifying the dataset in the repository",
"dtypeStr":"C",
"name":"dataset_checksum",
"superNames":[
"section_repository_dataset"
]
},{
"description":"Name of NOMAD repository dataset",
"dtypeStr":"C",
"name":"dataset_name",
"superNames":[
"section_repository_dataset"
]
},{
"description":"Unique identifier of the parent NOMAD repository dataset",
"dtypeStr":"C",
"name":"dataset_parent_pid",
"superNames":[
"section_repository_dataset"
]
},{
"description":"Unique identifier of a NOMAD repository dataset",
"dtypeStr":"C",
"name":"dataset_pid",
"superNames":[
"section_repository_dataset"
]
},{
"description":"kind of access this data has currently",
"dtypeStr":"C",
"name":"repository_access_now",
"superNames":[
"section_repository_info"
]
},{
"description":"Gid of a raw data archives that contains this calculation",
"dtypeStr":"C",
"name":"repository_archive_gid",
"repeats":true,
"superNames":[
"section_repository_info"
]
},{
"description":"Atomic elements used in this calculation",
"dtypeStr":"C",
"name":"repository_atomic_elements",
"repeats":true,
"superNames":[
"section_repository_info"
]
},{
"description":"String identifying the type of basis set used in this calculation",
"dtypeStr":"C",
"name":"repository_basis_set_type",
"superNames":[
"section_repository_info"
]
},{
"description":"calc_id, an internal identifier in the database of a file/calculation in NOMAD repository",
"dtypeStr":"i64",
"name":"repository_calc_id",
"superNames":[
"section_repository_info"
]
},{
"description":"checksum of the calculation",
"dtypeStr":"C",
"name":"repository_checksum",
"superNames":[
"section_repository_info"
]
},{
"description":"Chemical formula (composition) calculation",
"dtypeStr":"C",
"name":"repository_chemical_formula",
"superNames":[
"section_repository_info"
]
},{
"description":"String identifying the crystal system of this calculation",
"dtypeStr":"C",
"name":"repository_crystal_system",
"superNames":[
"section_repository_info"
]
},{
"description":"Checksum of the fields used in the NOMAD repository search result table: repository_chemical_formula, repository_spacegroup_nr, repository_basis_set_type, repository_xc_treatment, repository_code_version, repository_access_now, citation_repo_id, repository_comment, author_repository_id. Checksum is Base64 (url safe) encoding of the first 168 bit of SHA-512 prefixed with 'g'",
"dtypeStr":"C",
"name":"repository_grouping_checksum",
"superNames":[
"section_repository_info"
]
},{
"description":"Db identifier for a file/calculation in NOMAD repository",
"dtypeStr":"i64",
"name":"repository_id",
"superNames":[
"section_repository_info"
]
},{
"description":"A nomad uri to normalized calculation corresponding to this calculation",
"dtypeStr":"C",
"name":"repository_nomad_uri",
"repeats":true,
"superNames":[
"section_repository_info"
]
},{
"description":"Date this calculation did become, or will become open access",
"dtypeStr":"C",
"name":"repository_open_date",
"superNames":[
"section_repository_info"
]
},{
"description":"String identifying the parser used to parse the information for the repository",
"dtypeStr":"C",
"name":"repository_parser_id",
"superNames":[
"section_repository_info"
]
},{
"description":"Permanent identifier of a file/calculation in NOMAD repository",
"dtypeStr":"C",
"name":"repository_pid",
"superNames":[
"section_repository_info"
]
},{
"description":"String identifying the program used to generate this calculation",
"dtypeStr":"C",
"name":"repository_program_name",
"superNames":[
"section_repository_info"
]
},{
"description":"space group of the geometry of this calculation",
"dtypeStr":"i",
"name":"repository_spacegroup_nr",
"superNames":[
"section_repository_info"
]
},{
"description":"String identifying the type of system of this calculation",
"dtypeStr":"C",
"name":"repository_system_type",
"superNames":[
"section_repository_info"
]
},{
"description":"URI referring to the parsed file in the original upload to repository (equivalent of mainFileUri before repackaging)",