"description":"internal ID of the citation (primary key in Postgres DB)",
"dtypeStr":"C",
"name":"citation_repo_id",
"superNames":[
"section_citation"
]
},{
"description":"The type of citation (internal or external)",
"dtypeStr":"C",
...
...
@@ -46,6 +53,13 @@
"superNames":[
"section_citation"
]
},{
"description":"internal ID of the data set (primary key in Postgres DB calculations table)",
"dtypeStr":"i",
"name":"dataset_calc_id",
"superNames":[
"section_repository_dataset"
]
},{
"description":"Checksum idendifying the dataset in the repository",
"dtypeStr":"C",
...
...
@@ -60,6 +74,13 @@
"superNames":[
"section_repository_dataset"
]
},{
"description":"internal ID of the (optional) parent data set (primary key in Postgres DB calculations table)",
"dtypeStr":"i",
"name":"dataset_parent_calc_id",
"superNames":[
"section_repository_dataset"
]
},{
"description":"Unique identifier of the parent NOMAD repository dataset",
"dtypeStr":"C",
...
...
@@ -89,6 +110,13 @@
"superNames":[
"section_repository_info"
]
},{
"description":"Number of different elements contained in the system",
"dtypeStr":"i",
"name":"repository_atomic_elements_count",
"superNames":[
"section_repository_info"
]
},{
"description":"Atomic elements used in this calculation",
"dtypeStr":"C",
...
...
@@ -125,6 +153,20 @@
"superNames":[
"section_repository_info"
]
},{
"description":"version of the code that was used to generate the calculation",
"dtypeStr":"C",
"name":"repository_code_version",
"superNames":[
"section_repository_info"
]
},{
"description":"Comment on data uploaded to NOMAD repository",
"dtypeStr":"C",
"name":"repository_comment",
"superNames":[
"section_repository_info"
]
},{
"description":"String identifying the crystal system of this calculation",
"dtypeStr":"C",
...
...
@@ -132,6 +174,14 @@
"superNames":[
"section_repository_info"
]
},{
"description":"paths to the files associated with this calculation on the file system",
"dtypeStr":"C",
"name":"repository_filepaths",
"repeats":true,
"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",
...
...
@@ -146,6 +196,13 @@
"superNames":[
"section_repository_info"
]
},{
"description":"path to the primary file of this calculation on the file system",
"dtypeStr":"C",
"name":"repository_location",
"superNames":[
"section_repository_info"
]
},{
"description":"A nomad uri to normalized calculation corresponding to this calculation",
"dtypeStr":"C",
...
...
@@ -272,18 +329,25 @@
"section_shared_with"
]
},{
"description":"username of a person this calculation is shared with",
"dtypeStr":"C",
"name":"shared_with_username",
"description":"full name of the user the calculation has been shared with",
"dtypeStr":"i",
"name":"shared_with_name",
"superNames":[
"section_shared_with"
]
},{
"description":"Comment on data uploaded to NOMAD repository",
"description":"repository-internal ID of the user the calculation has been shared with",
"dtypeStr":"i",
"name":"shared_with_repo_id",
"superNames":[
"section_shared_with"
]
},{
"description":"username of a person this calculation is shared with",
"dtypeStr":"C",
"name":"repository_comment",
"name":"shared_with_username",
"superNames":[
"section_repository_info"
"section_shared_with"
]
},{
"description":"Date/time when the data was uploaded to NOMAD repository (offset from *Unix epoch* (00:00:00 UTC on 1 January 1970) in seconds)",
...
...
@@ -320,6 +384,13 @@
"superNames":[
"section_uploader_info"
]
},{
"description":"full name of the user who uploaded the calculation",
"dtypeStr":"i",
"name":"uploader_name",
"superNames":[
"section_uploader_info"
]
},{
"description":"First name of the uploader to NOMAD repository (includes middle names)",